Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799570
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C33H32N4O3S2 MW 596.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O3S2/c1-40-26-12-10-23(11-13-26)16-20-37-32(39)28(42-33(37)41)22-27-30(34-29-9-5-6-17-36(29)31(27)38)35-18-14-25(15-19-35)21-24-7-3-2-4-8-24/h2-13,17,22,25H,14-16,18-21H2,1H3/b28-22-InChIKey
AYEUPVSSTVZFRJ-SLMZUGIISA-NSynonyms
(5Z)5((2(4benzylpiperidin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3(2(4methoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCC(CC5)CC6=CC=CC=C6)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC33H32N4O3S2c14026121023(111326)16203732(39)28(4233(37)41)222730(34299561736(29)31(27)38)35181425(151935)21247324824h213172225H14161821H21H3b2822
MFCD06642803
ZINC000097946697
ZINC97946697
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