Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK819479
SMILES S=C1S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/C(=O)N1C(c1ccccc1)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 C28H22N4O4S2 MW 542.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4S2/c1-17(19-7-3-2-4-8-19)32-27(34)23(38-28(32)37)14-20-25(30-24-9-5-6-12-31(24)26(20)33)29-15-18-10-11-21-22(13-18)36-16-35-21/h2-14,17,29H,15-16H2,1H3/b23-14-InChIKey
NWVUAQAIZVFXHU-UCQKPKSFSA-NSynonyms
(5Z)5((2(13benzodioxol5ylmethylamino)4oxopyrido(12a)pyrimidin3yl)methylidene)3(1phenylethyl)2sulfanylidene13thiazolidin4one
2((13benzodioxol5ylmethyl)amino)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCC5=CC6=C(C=C5)OCO6)SC2=S
InChI=1SC28H22N4O4S2c117(197324819)3227(34)23(3828(32)37)142025(30249561231(24)26(20)33)29151810112122(1318)36163521h2141729H1516H21H3b2314
MFCD03212797
S=C1SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)C(=O)N1C(c1ccccc1)C
ZINC000100762775
ZINC000100762779
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