Vitas-M small molecule compound
2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK720976
SMILES COc1ccc(cc1)NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c1-17-6-5-7-20(12-17)32-26(34)22-13-18-15-36-28(2,3)14-23(18)30-25(22)31-27(32)37-16-24(33)29-19-8-10-21(35-4)11-9-19/h5-13H,14-16H2,1-4H3,(H,29,33)InChIKey
IWJBVHNWDQAGRQ-UHFFFAOYSA-NSynonyms
487023-19-82((88dimethyl3(3methylphenyl)4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((88dimethyl3(3methylphenyl)4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((88dimethyl4oxo3(mtolyl)4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)N(4methoxyphenyl)acetamide
487023198
CC1=CC(=CC=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3N=C2SCC(=O)NC5=CC=C(C=C5)OC
InChI=1SC28H28N4O4Sc11765720(1217)3226(34)221318153628(23)1423(18)3025(22)3127(32)371624(33)291981021(354)11919h513H1416H214H3(H2933)
MFCD03286517
ZINC000001305306
ZINC01305306
ZINC1305306
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