Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810432
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/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 C31H29N5O3S2 MW 583.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O3S2/c1-39-24-12-10-23(11-13-24)21-36-30(38)26(41-31(36)40)19-25-28(32-27-9-5-6-14-35(27)29(25)37)34-17-15-33(16-18-34)20-22-7-3-2-4-8-22/h2-14,19H,15-18,20-21H2,1H3/b26-19-InChIKey
WYNXWYMNMRAXLU-XHPQRKPJSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHOXYPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC=CC=C6)SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC31H29N5O3S2c13924121023(111324)213630(38)26(4131(36)40)192528(32279561435(27)29(25)37)34171533(161834)20227324822h21419H15182021H21H3b2619
MFCD03213045
ZINC000097946306
ZINC97946306
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