Vitas-M small molecule compound
(5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK818668
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2cn(nc2c2ccncc2)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 C27H22N4O2S2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O2S2/c1-33-23-9-7-19(8-10-23)13-16-30-26(32)24(35-27(30)34)17-21-18-31(22-5-3-2-4-6-22)29-25(21)20-11-14-28-15-12-20/h2-12,14-15,17-18H,13,16H2,1H3/b24-17-InChIKey
SVGAPVHOLYQCKC-ULJHMMPZSA-NSynonyms
(5Z)3(2(4methoxyphenyl)ethyl)5((1phenyl3(pyridin4yl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(4METHOXYPHENYL)ETHYL)5((1PHENYL3PYRIDIN4YLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=Cc2cn(nc2c2ccncc2)c2ccccc2)C1=O
InChI=1SC27H22N4O2S2c133239719(81023)13163026(32)24(3527(30)34)17211831(225324622)2925(21)20111428151220h21214151718H1316H21H3b2417
MFCD04447978
ZINC000016736954
ZINC16736954
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