Vitas-M small molecule compound
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813355
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccccc2)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 C27H29N3OS2 MW 475.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3OS2/c1-2-3-4-5-6-13-18-29-26(31)24(33-27(29)32)19-22-20-30(23-16-11-8-12-17-23)28-25(22)21-14-9-7-10-15-21/h7-12,14-17,19-20H,2-6,13,18H2,1H3/b24-19-InChIKey
ZPUDENWDZVXBGA-CLCOLTQESA-NSynonyms
(5Z)5((13diphenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((13diphenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
5((13DIPHENYL1HPYRAZOL4YL)METHYLENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccccc2)c2ccccc2)C1=O
InChI=1SC27H29N3OS2c12345613182926(31)24(3327(29)32)19222030(2316118121723)2825(22)211497101521h71214171920H261318H21H3b2419
MFCD04441509
ZINC000100871345
ZINC100871345
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