Vitas-M small molecule compound
2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK558027
SMILES CCOc1ccc(cc1)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
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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 C27H25ClN4O3S MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O3S/c1-2-35-21-12-10-19(11-13-21)29-24(33)16-36-27-31-25-22(14-17-6-3-4-9-23(17)30-25)26(34)32(27)20-8-5-7-18(28)15-20/h5,7-8,10-15H,2-4,6,9,16H2,1H3,(H,29,33)InChIKey
RXRVKSSYBWBUIY-UHFFFAOYSA-NSynonyms
578718-52-22((3(3chlorophenyl)4oxo346789hexahydropyrimido(45b)quinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((3(3chlorophenyl)4oxo346789hexahydropyrimido(45b)quinolin2yl)thio)N(4ethoxyphenyl)acetamide
2((3(3chlorophenyl)4oxo6789tetrahydropyrimido(45b)quinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
578718522
CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC4=C(CCCC4)C=C3C(=O)N2C5=CC(=CC=C5)Cl
InChI=1SC27H25ClN4O3Sc123521121019(111321)2924(33)163627312522(1417634923(17)3025)26(34)32(27)2085718(28)1520h5781015H246916H21H3(H2933)
MFCD04029455
ZINC000002387629
ZINC02387629
ZINC2387629
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