Vitas-M small molecule compound

ethyl 4-{[(2Z)-2-{2-[(3-chloro-4-methylphenyl)amino]-1-cyano-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl}benzoate

Catalog ID
STK740395
SMILES CCOC(=O)c1ccc(cc1)CC1S/C(=C(\C(=O)Nc2ccc(c(c2)Cl)C)/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 C29H24ClN3O4S MW 546.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O4S/c1-3-37-29(36)20-12-10-19(11-13-20)15-25-27(35)33(22-7-5-4-6-8-22)28(38-25)23(17-31)26(34)32-21-14-9-18(2)24(30)16-21/h4-14,16,25H,3,15H2,1-2H3,(H,32,34)/b28-23-
InChIKey
OFIALDMDUKNJGY-NFFVHWSESA-N
Synonyms
488118-90-7
(Z)ethyl4((2(2((3chloro4methylphenyl)amino)1cyano2oxoethylidene)4oxo3phenylthiazolidin5yl)methyl)benzoate
488118907
CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)NC3=CC(=C(C=C3)C)Cl)S2)C4=CC=CC=C4
CCOC(=O)c1ccc(cc1)CC1SC(=C(C(=O)Nc2ccc(c(c2)Cl)C)C#N)N(C1=O)c1ccccc1
ethyl4(((2Z)2(2((3chloro4methylphenyl)amino)1cyano2oxoethylidene)4oxo3phenyl13thiazolidin5yl)methyl)benzoate
ETHYL4(((2Z)2(2(3CHLORO4METHYLANILINO)1CYANO2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YL)METHYL)BENZOATE
ETHYL4((2((N(3CHLORO4METHYLPHENYL)CARBAMOYL)CYANOMETHYLENE)4OXO3PHENYL13THIAZOLIDIN5YL)METHYL)BENZOATE
InChI=1SC29H24ClN3O4Sc133729(36)20121019(111320)152527(35)33(227546822)28(3825)23(1731)26(34)322114918(2)24(30)1621h4141625H315H212H3(H3234)b2823
MFCD03289236
ZINC000100837047
ZINC000100837048

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Available files

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