Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823711
SMILES CC(N1C(=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 C29H25N3O2S2 MW 511.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2S2/c1-20(2)32-28(33)26(36-29(32)35)17-23-18-31(24-11-7-4-8-12-24)30-27(23)22-13-15-25(16-14-22)34-19-21-9-5-3-6-10-21/h3-18,20H,19H2,1-2H3/b26-17-InChIKey
MJRUVVKSLSCDLE-ONUIUJJFSA-NSynonyms
(5Z)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(propan2yl)2thioxo13thiazolidin4one
CC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CC(N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O)C
InChI=1SC29H25N3O2S2c120(2)3228(33)26(3629(32)35)17231831(24117481224)3027(23)22131525(161422)34192195361021h31820H19H212H3b2617
MFCD03464217
ZINC000027020797
ZINC27020797
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