Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK876544
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(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 C28H28N4O2S2 MW 516.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S2/c1-3-13-32-27(34)23(36-28(32)35)18-22-25(29-24-19(2)8-7-14-31(24)26(22)33)30-15-11-21(12-16-30)17-20-9-5-4-6-10-20/h3-10,14,18,21H,1,11-13,15-17H2,2H3/b23-18-InChIKey
HNGGHZRGMWUOOV-NKFKGCMQSA-NSynonyms
(5Z)5((2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3allyl5((2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
2(4benzylpiperidin1yl)9methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)C1=O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCC(CC4)CC5=CC=CC=C5
InChI=1SC28H28N4O2S2c13133227(34)23(3628(32)35)182225(292419(2)871431(24)26(22)33)30151121(121630)172095461020h310141821H111131517H22H3b2318
MFCD02987057
ZINC000008817137
ZINC8817137
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