Vitas-M small molecule compound
methyl 2-{[({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK826480
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H28N4O5S MW 568.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O5S/c1-19-27(29(37)35-24-15-9-10-16-25(24)39-2)28(20-11-5-4-6-12-20)22(17-32)30(33-19)41-18-26(36)34-23-14-8-7-13-21(23)31(38)40-3/h4-16,28,33H,18H2,1-3H3,(H,34,36)(H,35,37)InChIKey
OLRWUTCDEZSKFV-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC
InChI=1SC31H28N4O5Sc11927(29(37)3524159101625(24)392)28(20115461220)22(1732)30(3319)411826(36)342314871321(23)31(38)403h4162833H18H213H3(H3436)(H3537)
methyl2((((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
MFCD10086430
ZINC000098048698
ZINC000098048699
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