Vitas-M small molecule compound
2-{[8,8-dimethyl-3-(4-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STK720975
SMILES O=C(Nc1ccc(cc1)C)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)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 C28H28N4O3S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S/c1-17-5-9-20(10-6-17)29-24(33)16-36-27-31-25-22(13-19-15-35-28(3,4)14-23(19)30-25)26(34)32(27)21-11-7-18(2)8-12-21/h5-13H,14-16H2,1-4H3,(H,29,33)InChIKey
KOGYAQAUYYTMHB-UHFFFAOYSA-NSynonyms
498535-15-22((88dimethyl3(4methylphenyl)4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
2((88dimethyl3(4methylphenyl)4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
2((88dimethyl4oxo3(ptolyl)4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)N(ptolyl)acetamide
498535152
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC4=C(COC(C4)(C)C)C=C3C(=O)N2C5=CC=C(C=C5)C
InChI=1SC28H28N4O3Sc1175920(10617)2924(33)163627312522(1319153528(34)1423(19)3025)26(34)32(27)2111718(2)81221h513H1416H214H3(H2933)
MFCD03301559
ZINC000001307183
ZINC01307183
ZINC1307183
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