Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823002
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCC)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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-3-5-6-10-17-29-26(31)24(34-27(29)33)18-21-19-30(22-11-8-7-9-12-22)28-25(21)20-13-15-23(16-14-20)32-4-2/h7-9,11-16,18-19H,3-6,10,17H2,1-2H3/b24-18-InChIKey
SEAZZUYANIUWPK-MOHJPFBDSA-NSynonyms
(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC)c2ccccc2)C1=O
InChI=1SC27H29N3O2S2c135610172926(31)24(3427(29)33)18211930(22118791222)2825(21)20131523(161420)3242h7911161819H361017H212H3b2418
MFCD03463564
ZINC000027018155
ZINC27018155
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