Vitas-M small molecule compound
ethyl {[3-(2-methylphenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetate
Catalog ID
STK531874
SMILES CCOC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1C
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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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-3-28-19(26)13-29-22-24-20-16(12-15-9-5-6-10-17(15)23-20)21(27)25(22)18-11-7-4-8-14(18)2/h4,7-8,11-12H,3,5-6,9-10,13H2,1-2H3InChIKey
URHYOEDVGQIPPJ-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C
ethyl((3(2methylphenyl)4oxo346789hexahydropyrimido(45b)quinolin2yl)sulfanyl)acetate
ethyl2((3(2methylphenyl)4oxo6789tetrahydropyrimido(45b)quinolin2yl)sulfanyl)acetate
ethyl2((4oxo3(otolyl)346789hexahydropyrimido(45b)quinolin2yl)thio)acetate
InChI=1SC22H23N3O3Sc132819(26)132922242016(12159561017(15)2320)21(27)25(22)181174814(18)2h4781112H35691013H212H3
MFCD02990541
ZINC000004857240
ZINC04857240
ZINC4857240
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