Vitas-M small molecule compound
2-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK914582
SMILES COc1ccccc1C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1cccc(c1)F)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 C27H26FN3O3S MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S/c1-27(2)12-18-22(19(32)13-27)21(17-9-4-5-10-20(17)34-3)23-24(29-18)30-26(31-25(23)33)35-14-15-7-6-8-16(28)11-15/h4-11,21H,12-14H2,1-3H3,(H2,29,30,31,33)InChIKey
ZBTKZWBTAWAVOF-UHFFFAOYSA-NSynonyms
2((3fluorobenzyl)sulfanyl)5(2methoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((3fluorophenyl)methylsulfanyl)5(2methoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC(=CC=C4)F)C5=CC=CC=C5OC)C(=O)C1)C
COc1ccccc1C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1cccc(c1)F)CC(CC2=O)(C)C
InChI=1SC27H26FN3O3Sc127(2)121822(19(32)1327)21(179451020(17)343)2324(2918)3026(3125(23)33)35141576816(28)1115h41121H1214H213H3(H229303133)
MFCD14748278
ZINC000009608786
ZINC000009608790
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