Vitas-M small molecule compound

butyl 4-({4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate

Catalog ID
STK531397
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

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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 C27H30N2O4S2 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S2/c1-3-5-17-33-26(32)21-12-14-22(15-13-21)28-24(30)7-6-16-29-25(31)23(35-27(29)34)18-20-10-8-19(4-2)9-11-20/h8-15,18H,3-7,16-17H2,1-2H3,(H,28,30)/b23-18-
InChIKey
OACPVELRJINIKP-NKFKGCMQSA-N
Synonyms
372975-23-0
(Z)butyl4(4(5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)butanamido)benzoate
372975230
butyl4((4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)benzoate
BUTYL4(4((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
BUTYL4(4(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=C(C=C3)CC)SC2=S
CCCCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)SC(=Cc2ccc(cc2)CC)C1=O
InChI=1SC27H30N2O4S2c135173326(32)21121422(151321)2824(30)76162925(31)23(3527(29)34)182010819(42)91120h81518H371617H212H3(H2830)b2318
MFCD01955364
ZINC000008819284
ZINC08819284
ZINC8819284

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.