Vitas-M small molecule compound

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

Catalog ID
STK835822
SMILES CCOC(=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 C25H26N2O4S2 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4S2/c1-3-17-7-9-18(10-8-17)16-21-23(29)27(25(32)33-21)15-5-6-22(28)26-20-13-11-19(12-14-20)24(30)31-4-2/h7-14,16H,3-6,15H2,1-2H3,(H,26,28)/b21-16-
InChIKey
NRYRALXEKZJLHO-PGMHBOJBSA-N
Synonyms

(Z)ethyl4(4(5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)butanamido)benzoate
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)SC(=Cc2ccc(cc2)CC)C1=O
ethyl4((4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)benzoate
ETHYL4(4((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
ETHYL4(4(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOATE
InChI=1SC25H26N2O4S2c13177918(10817)162123(29)27(25(32)3321)155622(28)2620131119(121420)24(30)3142h71416H3615H212H3(H2628)b2116
MFCD01958420
ZINC000008817486
ZINC08817486
ZINC8817486

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Available files

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