Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980692
SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1
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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 C25H23N3O2S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2S/c1-15-10-12-17(13-11-15)20-21-18(8-5-9-19(21)29)26-23-22(20)24(30)28-25(27-23)31-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,20H,5,8-9,14H2,1H3,(H2,26,27,28,30)InChIKey
DGXCFJFAVRPPGK-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4methylphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4methylphenyl)1578910hexahydropyrimido(45b)quinoline46dione
CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC25H23N3O2Sc115101217(131115)202118(85919(21)29)262322(20)24(30)2825(2723)3114166324716h2467101320H58914H21H3(H226272830)
MFCD04457266
ZINC000017041229
ZINC000017041232
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