Vitas-M small molecule compound
2-[(2-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980716
SMILES COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1F
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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 C25H22FN3O3S MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O3S/c1-32-19-12-5-3-8-15(19)20-21-17(10-6-11-18(21)30)27-23-22(20)24(31)29-25(28-23)33-13-14-7-2-4-9-16(14)26/h2-5,7-9,12,20H,6,10-11,13H2,1H3,(H2,27,28,29,31)InChIKey
YKEHFRNLNPLERZ-UHFFFAOYSA-NSynonyms
2((2fluorobenzyl)sulfanyl)5(2methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2fluorophenyl)methylsulfanyl)5(2methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
COC1=CC=CC=C1C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5F
COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1F
InChI=1SC25H22FN3O3Sc132191253815(19)202117(1061118(21)30)272322(20)24(31)2925(2823)331314724916(14)26h25791220H6101113H21H3(H227282931)
MFCD04212018
ZINC000001130507
ZINC000001130510
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