Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK701874
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCC)c2ccccc2)/C1=O)CC
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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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-4-7-11-21(5-2)19-31-28(33)26(36-29(31)35)18-23-20-32(24-12-9-8-10-13-24)30-27(23)22-14-16-25(17-15-22)34-6-3/h8-10,12-18,20-21H,4-7,11,19H2,1-3H3/b26-18-InChIKey
OMEQYPNECLHHHM-ITYLOYPMSA-NSynonyms
(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2ETHYLHEXYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC)c2ccccc2)C1=O)CC
InChI=1SC29H33N3O2S2c1471121(52)193128(33)26(3629(31)35)18232032(241298101324)3027(23)22141625(171522)3463h81012182021H471119H213H3b2618
MFCD03461653
ZINC000016791061
ZINC000016791062
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