Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705777
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C31H29N5O3S2 MW 583.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O3S2/c1-21(22-8-4-3-5-9-22)36-30(38)26(41-31(36)40)20-25-28(32-27-10-6-7-15-35(27)29(25)37)34-18-16-33(17-19-34)23-11-13-24(39-2)14-12-23/h3-15,20-21H,16-19H2,1-2H3/b26-20-InChIKey
ZMOQBTWFHDBFAH-QOMWVZHYSA-NSynonyms
(5Z)5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3(1phenylethyl)2sulfanylidene13thiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)C6=CC=C(C=C6)OC)SC2=S
COc1ccc(cc1)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
InChI=1SC31H29N5O3S2c121(228435922)3630(38)26(4131(36)40)202528(322710671535(27)29(25)37)34181633(171934)23111324(392)141223h3152021H1619H212H3b2620
MFCD06642771
ZINC000097946685
ZINC000097946686
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