Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799337
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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 C29H32N4O2S2 MW 532.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S2/c1-3-4-14-32-28(35)24(37-29(32)36)18-23-26(30-25-11-10-20(2)19-33(25)27(23)34)31-15-12-22(13-16-31)17-21-8-6-5-7-9-21/h5-11,18-19,22H,3-4,12-17H2,1-2H3/b24-18-InChIKey
LJCPVYAGHUOAOY-MOHJPFBDSA-NSynonyms
(5Z)5((2(4BENZYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperidin1yl)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC29H32N4O2S2c134143228(35)24(3729(32)36)182326(3025111020(2)1933(25)27(23)34)31151222(131631)17218657921h511181922H341217H212H3b2418
MFCD03462385
ZINC000097946411
ZINC97946411
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