Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799566
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4)N3CCC(CC3)Cc3ccccc3)/C2=O)ccc1OC
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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 C34H34N4O4S2 MW 626.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O4S2/c1-41-27-12-11-24(21-28(27)42-2)15-19-38-33(40)29(44-34(38)43)22-26-31(35-30-10-6-7-16-37(30)32(26)39)36-17-13-25(14-18-36)20-23-8-4-3-5-9-23/h3-12,16,21-22,25H,13-15,17-20H2,1-2H3/b29-22-InChIKey
DMECJFRFJSHIGE-IADYIPOJSA-NSynonyms
(5Z)5((2(4benzylpiperidin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCC(CC5)CC6=CC=CC=C6)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(nc4n(c3=O)cccc4)N3CCC(CC3)Cc3ccccc3)C2=O)ccc1OC
InChI=1SC34H34N4O4S2c14127121124(2128(27)422)15193833(40)29(4434(38)43)222631(353010671637(30)32(26)39)36171325(141836)20238435923h31216212225H13151720H212H3b2922
MFCD06642801
ZINC000097946830
ZINC97946830
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