CAS 923604-59-5: Simeprevir

Formula: C₃₈H₄₇N₅O₇S₂

InChI: InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1

InChI key: InChIKey=JTZZSQYMACOLNN-VDWJNHBNSA-N

SMILES: O=C1NC2(C(=O)NS(=O)(=O)C3CC3)CC2C=CCCCCN(C(=O)C4CC(OC5=CC(=NC=6C5=CC=C(OC)C6C)C7=NC(=CS7)C(C)C)CC14)C

Synonyms:

• (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
• Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-
• Merospevir
• Olysio
• Simeprevir
• Sovriad
• Tmc 435
• TMC 435350
• TMC 435350

Simeprevir

CAS: 923604-59-5

• Formula: C₃₈H₄₇N₅O₇S₂
• Color and Shape: Off-White Solid
• Molecular weight: 749.94

Simeprevir

CAS: 923604-59-5

Simeprevir (TMC435) is a potent HCV NS3/4A protease inhibitor, and inhibits HCV replication with EC50 …

• Formula: C₃₈H₄₇N₅O₇S₂
• Purity: 99.61% - 99.77%
• Color and Shape: Solid
• Molecular weight: 749.94

Simeprevir

CAS: 923604-59-5

• Formula: C₃₈H₄₇N₅O₇S₂
• Purity: ≥ 99.0%
• Color and Shape: White powder
• Molecular weight: 749.93

Simeprevir-13C-d3

CAS: 923604-59-5

• Formula: C₃₇₁₃CH₄₄D₃N₅O₇S₂
• Molecular weight: 753.95

Simeprevir

CAS: 923604-59-5

Anti-viral; NS3/4A protease inhibitor_x000D_

• Formula: C₃₈H₄₇N₅O₇S₂
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 749.94 g/mol

Simeprevir

CAS: 923604-59-5

Applications Simeprevir, is a hepatitis C virus (NS3/4A) protease inhibitor, used for the cure and …

• Formula: C₃₈H₄₇N₅O₇S₂
• Color and Shape: Neat
• Molecular weight: 749.94