Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706468
SMILES C=CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)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 C25H23N3O2S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2S2/c1-4-13-27-24(29)22(32-25(27)31)15-19-16-28(20-9-7-6-8-10-20)26-23(19)18-11-12-21(30-5-2)17(3)14-18/h4,6-12,14-16H,1,5,13H2,2-3H3/b22-15-InChIKey
AVVQOUXCIOCSCR-JCMHNJIXSA-NSynonyms
(5Z)5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3allyl5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
C=CCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC)c2ccccc2)C1=O
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4)C
InChI=1SC25H23N3O2S2c14132724(29)22(3225(27)31)15191628(2097681020)2623(19)18111221(3052)17(3)1418h46121416H1513H223H3b2215
MFCD02986434
ZINC000002289483
ZINC02289483
ZINC2289483
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