Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798507
SMILES CC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)/C1=O)C
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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 C30H27N3O2S2 MW 525.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O2S2/c1-21(2)18-32-29(34)27(37-30(32)36)17-24-19-33(25-11-7-4-8-12-25)31-28(24)23-13-15-26(16-14-23)35-20-22-9-5-3-6-10-22/h3-17,19,21H,18,20H2,1-2H3/b27-17-InChIKey
IGANLCFSVMIUIJ-PKAZHMFMSA-NSynonyms
(5Z)3(2METHYLPROPYL)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
CC(C)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O)C
InChI=1SC30H27N3O2S2c121(2)183229(34)27(3730(32)36)17241933(25117481225)3128(24)23131526(161423)35202295361022h3171921H1820H212H3b2717
MFCD03417711
ZINC000002668303
ZINC02668303
ZINC2668303
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