Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980813
SMILES COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1)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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-27(2)12-17-22(19(32)13-27)21(16-9-10-18(31)20(11-16)34-3)23-24(28-17)29-26(30-25(23)33)35-14-15-7-5-4-6-8-15/h4-11,21,31H,12-14H2,1-3H3,(H2,28,29,30,33)InChIKey
QEHBLUMPJOVLTJ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4hydroxy3methoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4hydroxy3methoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC(=C(C=C5)O)OC)C(=O)C1)C
COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1)CC(CC2=O)(C)C
InChI=1SC27H27N3O4Sc127(2)121722(19(32)1327)21(1691018(31)20(1116)343)2324(2817)2926(3025(23)33)3514157546815h4112131H1214H213H3(H228293033)
MFCD04065197
ZINC000032655180
ZINC000032655181
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