Vitas-M small molecule compound
ethyl 4-{[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl}benzoate
Catalog ID
STL021561
SMILES CCOC(=O)c1ccc(cc1)CC1S/C(=C(\C(=O)N)/C#N)/N(C1=O)c1ccccc1C
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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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-3-30-23(29)16-10-8-15(9-11-16)12-19-21(28)26(18-7-5-4-6-14(18)2)22(31-19)17(13-24)20(25)27/h4-11,19H,3,12H2,1-2H3,(H2,25,27)/b22-17-InChIKey
BIORKTTVYPEQFG-XLNRJJMWSA-NSynonyms
(E)ethyl4((2(2amino1cyano2oxoethylidene)4oxo3(otolyl)thiazolidin5yl)methyl)benzoate
CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)N)S2)C3=CC=CC=C3C
CCOC(=O)c1ccc(cc1)CC1SC(=C(C(=O)N)C#N)N(C1=O)c1ccccc1C
ethyl4(((2Z)2(2amino1cyano2oxoethylidene)3(2methylphenyl)4oxo13thiazolidin5yl)methyl)benzoate
ETHYL4((2(CARBAMOYLCYANOMETHYLENE)3(2METHYLPHENYL)4OXO13THIAZOLIDIN5YL)METHYL)BENZOATE
InChI=1SC23H21N3O4Sc133023(29)1610815(91116)121921(28)26(18754614(18)2)22(3119)17(1324)20(25)27h41119H312H212H3(H22527)b2217
MFCD06438393
ZINC000002369241
ZINC000002369245
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