Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-9-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793992
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)/C(=O)N1CCc1ccccc1
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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 C33H32N4O2S2 MW 580.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O2S2/c1-23-9-8-17-36-29(23)34-30(35-18-14-26(15-19-35)21-25-12-6-3-7-13-25)27(31(36)38)22-28-32(39)37(33(40)41-28)20-16-24-10-4-2-5-11-24/h2-13,17,22,26H,14-16,18-21H2,1H3/b28-22-InChIKey
DPFJXBUJWOCQLM-SLMZUGIISA-NSynonyms
(5Z)5((2(4benzylpiperidin1yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3phenethyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)9methyl3((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC(CC5)CC6=CC=CC=C6
InChI=1SC33H32N4O2S2c12398173629(23)3430(35181426(151935)2125126371325)27(31(36)38)222832(39)37(33(40)4128)201624104251124h213172226H14161821H21H3b2822
MFCD02994507
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)C(=O)N1CCc1ccccc1
ZINC000100837773
ZINC100837773
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