Vitas-M small molecule compound

N-(2-cyanoethyl)-4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-phenylbutanamide

Catalog ID
STK526288
SMILES N#CCCN(c1ccccc1)C(=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 C25H25N3O2S2 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S2/c1-2-19-11-13-20(14-12-19)18-22-24(30)28(25(31)32-22)16-6-10-23(29)27(17-7-15-26)21-8-4-3-5-9-21/h3-5,8-9,11-14,18H,2,6-7,10,16-17H2,1H3/b22-18-
InChIKey
YRMLPBZLKOKOKV-PYCFMQQDSA-N
Synonyms
315244-18-9
(Z)N(2cyanoethyl)4(5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)Nphenylbutanamide
315244189
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N(CCC#N)C3=CC=CC=C3
InChI=1SC25H25N3O2S2c1219111320(141219)182224(30)28(25(31)3222)1661023(29)27(1771526)218435921h3589111418H267101617H21H3b2218
MFCD01950795
N#CCCN(c1ccccc1)C(=O)CCCN1C(=S)SC(=Cc2ccc(cc2)CC)C1=O
N(2CYANOETHYL)4((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)NPHENYLBUTANAMIDE
N(2cyanoethyl)4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)Nphenylbutanamide
N(2CYANOETHYL)4(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))NPHENYLBUTANAMIDE
ZINC000008764040
ZINC08764040
ZINC8764040

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Available files

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