Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816441
SMILES S=C1S/C(=C\c2c(NC(c3ccccc3)C)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C28H22N4O4S2 MW 542.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4S2/c1-17(19-7-3-2-4-8-19)29-25-20(26(33)31-12-6-5-9-24(31)30-25)14-23-27(34)32(28(37)38-23)15-18-10-11-21-22(13-18)36-16-35-21/h2-14,17,29H,15-16H2,1H3/b23-14-InChIKey
LMXKMECRWGGCFR-UCQKPKSFSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((4OXO2(1PHENYLETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((1phenylethyl)amino)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)NC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
InChI=1SC28H22N4O4S2c117(197324819)292520(26(33)311265924(31)3025)142327(34)32(28(37)3823)151810112122(1318)36163521h2141729H1516H21H3b2314
MFCD05028645
S=C1SC(=Cc2c(NC(c3ccccc3)C)nc3n(c2=O)cccc3)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000100763673
ZINC000100763677
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