Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL363427
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)Cc2ccccc2)/C1=O)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 C29H32N4O2S2 MW 532.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S2/c1-4-20(3)33-28(35)24(37-29(33)36)17-23-26(30-25-11-10-19(2)18-32(25)27(23)34)31-14-12-22(13-15-31)16-21-8-6-5-7-9-21/h5-11,17-18,20,22H,4,12-16H2,1-3H3/b24-17-InChIKey
YNNGWNANQAMWMM-ULJHMMPZSA-NSynonyms
615275-54-2(5Z)5((2(4BENZYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(secbutyl)2thioxothiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
5((7METHYL4OXO2(4BENZYLPIPERIDYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(METHYLPROPYL)2THIOXO13THIAZOLIDIN4ONE
615275542
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)Cc2ccccc2)C1=O)C
InChI=1SC29H32N4O2S2c1420(3)3328(35)24(3729(33)36)172326(3025111019(2)1832(25)27(23)34)31141222(131531)16218657921h51117182022H41216H213H3b2417
MFCD03664816
ZINC000100863366
ZINC000100863367
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