Vitas-M small molecule compound
ethyl 4-{[(5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}benzoate
Catalog ID
STK826324
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)NC1CCCCC1
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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 C31H34N4O4S MW 558.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O4S/c1-3-39-31(38)22-14-16-24(17-15-22)35-29(37)27-20(2)33-30(25(18-32)28(27)21-10-6-4-7-11-21)40-19-26(36)34-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,28,33H,3,5,8-9,12-13,19H2,1-2H3,(H,34,36)(H,35,37)InChIKey
JXEXZCOWCCISCY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4CCCCC4)C
ethyl4(((5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)2methyl4phenyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano6(2(cyclohexylamino)2oxoethyl)sulfanyl2methyl4phenyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC31H34N4O4Sc133931(38)22141624(171522)3529(37)2720(2)3330(25(1832)28(27)21106471121)401926(36)3423128591323h46710111417232833H3589121319H212H3(H3436)(H3537)
MFCD10086225
ZINC000098048889
ZINC000098048890
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