Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-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
STK704445
SMILES CCC(N1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)/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 C25H24N4O4S2 MW 508.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S2/c1-4-15(3)29-24(31)20(35-25(29)34)10-17-22(27-21-8-5-14(2)12-28(21)23(17)30)26-11-16-6-7-18-19(9-16)33-13-32-18/h5-10,12,15,26H,4,11,13H2,1-3H3/b20-10-InChIKey
AVJZCIXKTBDMPG-JMIUGGIZSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCC4=CC5=C(C=C4)OCO5)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)C1=O)C
InChI=1SC25H24N4O4S2c1415(3)2924(31)20(3525(29)34)101722(27218514(2)1228(21)23(17)30)261116671819(916)33133218h510121526H41113H213H3b2010
MFCD03212838
ZINC000016734293
ZINC000016734297
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