Vitas-M small molecule compound
(5Z)-3-hexyl-5-({1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823014
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)c2ccccc2)/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 C30H34N4O3S3 MW 594.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O3S3/c1-2-3-4-11-20-33-29(35)27(39-30(33)38)21-24-22-34(25-12-7-5-8-13-25)31-28(24)23-14-16-26(17-15-23)40(36,37)32-18-9-6-10-19-32/h5,7-8,12-17,21-22H,2-4,6,9-11,18-20H2,1H3/b27-21-InChIKey
KHICZERHXRCXPH-MEFGMAGPSA-NSynonyms
(5Z)3hexyl5((1phenyl3(4(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((1phenyl3(4piperidin1ylsulfonylphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)c2ccccc2)C1=O
InChI=1SC30H34N4O3S3c123411203329(35)27(3930(33)38)21242234(25127581325)3128(24)23141626(171523)40(3637)321896101932h57812172122H2469111820H21H3b2721
MFCD03463576
ZINC000097947133
ZINC97947133
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