Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703091
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-4-6-7-11-16-30-27(32)25(35-28(30)34)18-21-19-31(22-12-9-8-10-13-22)29-26(21)24-15-14-23(33-5-2)17-20(24)3/h8-10,12-15,17-19H,4-7,11,16H2,1-3H3/b25-18-InChIKey
SBRNJMPVSKDSGL-BWAHOGKJSA-NSynonyms
955887-93-1(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
(Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3hexyl2thioxothiazolidin4one
955887931
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c146711163027(32)25(3528(30)34)18211931(221298101322)2926(21)24151423(3352)1720(24)3h81012151719H471116H213H3b2518
MFCD03418437
ZINC000009411655
ZINC09411655
ZINC9411655
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