Vitas-M small molecule compound
ethyl 4-{[(2Z)-2-cyano-2-{5-[4-(ethoxycarbonyl)benzyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene}acetyl]amino}benzoate
Catalog ID
STL069920
SMILES CCOC(=O)c1ccc(cc1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)C(=O)OCC)/C#N)/N(C1=O)c1ccccc1
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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 C31H27N3O6S MW 569.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6S/c1-3-39-30(37)21-12-10-20(11-13-21)18-26-28(36)34(24-8-6-5-7-9-24)29(41-26)25(19-32)27(35)33-23-16-14-22(15-17-23)31(38)40-4-2/h5-17,26H,3-4,18H2,1-2H3,(H,33,35)/b29-25-InChIKey
DKCPZYKAAGGIEI-GNVQSUKOSA-NSynonyms
(Z)ethyl4((2(1cyano2((4(ethoxycarbonyl)phenyl)amino)2oxoethylidene)4oxo3phenylthiazolidin5yl)methyl)benzoate
CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)OCC)S2)C4=CC=CC=C4
CCOC(=O)c1ccc(cc1)CC1SC(=C(C(=O)Nc2ccc(cc2)C(=O)OCC)C#N)N(C1=O)c1ccccc1
ETHYL4(((2Z)2(1CYANO2(4ETHOXYCARBONYLANILINO)2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YL)METHYL)BENZOATE
ethyl4(((2Z)2cyano2(5(4(ethoxycarbonyl)benzyl)4oxo3phenyl13thiazolidin2ylidene)acetyl)amino)benzoate
ETHYL4((2(CYANO(N(4(ETHOXYCARBONYL)PHENYL)CARBAMOYL)METHYLENE)4OXO3PHENYL13THIAZOLIDIN5YL)METHYL)BENZOATE
InChI=1SC31H27N3O6Sc133930(37)21121020(111321)182628(36)34(248657924)29(4126)25(1932)27(35)3323161422(151723)31(38)4042h51726H3418H212H3(H3335)b2925
MFCD03289547
ZINC000097968944
ZINC000097968945
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