Vitas-M small molecule compound
1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK724423
SMILES COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3Cc1ccccc1)CC(CC2=O)(C)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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-27(2)12-17-22(19(32)13-27)21(16-9-10-18(31)20(11-16)35-3)23-24(28-17)30(26(34)29-25(23)33)14-15-7-5-4-6-8-15/h4-11,21,28,31H,12-14H2,1-3H3,(H,29,33,34)InChIKey
GCJIGMCXSBONMD-UHFFFAOYSA-NSynonyms
1benzyl5(4hydroxy3methoxyphenyl)88dimethyl57910tetrahydropyrimido(45b)quinoline246trione
1benzyl5(4hydroxy3methoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
CC1(CC2=C(C(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CC=C4)C5=CC(=C(C=C5)O)OC)C(=O)C1)C
COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3Cc1ccccc1)CC(CC2=O)(C)C
InChI=1SC27H27N3O5c127(2)121722(19(32)1327)21(1691018(31)20(1116)353)2324(2817)30(26(34)2925(23)33)14157546815h411212831H1214H213H3(H293334)
MFCD03821159
ZINC000006492365
ZINC000006492366
ZINC06492365
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