Vitas-M small molecule compound
2-[(2-fluorobenzyl)sulfanyl]-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980712
SMILES Cc1ccc(cc1)C1C2=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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-14-9-11-15(12-10-14)20-21-18(7-4-8-19(21)30)27-23-22(20)24(31)29-25(28-23)32-13-16-5-2-3-6-17(16)26/h2-3,5-6,9-12,20H,4,7-8,13H2,1H3,(H2,27,28,29,31)InChIKey
HAQHFPKDKNJNHC-UHFFFAOYSA-NSynonyms
537043-69-92((2fluorobenzyl)sulfanyl)5(4methylphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2fluorophenyl)methylsulfanyl)5(4methylphenyl)1578910hexahydropyrimido(45b)quinoline46dione
537043699
CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5F
Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1F
InChI=1SC25H22FN3O2Sc11491115(121014)202118(74819(21)30)272322(20)24(31)2925(2823)321316523617(16)26h235691220H47813H21H3(H227282931)
MFCD04457302
ZINC000017041237
ZINC000017041240
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