Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980693
SMILES COc1ccc(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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-31-17-12-10-16(11-13-17)20-21-18(8-5-9-19(21)29)26-23-22(20)24(30)28-25(27-23)32-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,20H,5,8-9,14H2,1H3,(H2,26,27,28,30)InChIKey
IXJRHWWCUQQFOC-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
COC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
COc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC25H23N3O3Sc13117121016(111317)202118(85919(21)29)262322(20)24(30)2825(2723)3214156324715h2467101320H58914H21H3(H226272830)
MFCD04457268
ZINC000016953600
ZINC000016953602
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