Vitas-M small molecule compound
5-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980645
SMILES CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)OCc1ccccc1)C(=O)CCC3
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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/c1-32-25-27-23-22(24(30)28-25)20(21-18(26-23)8-5-9-19(21)29)16-10-12-17(13-11-16)31-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,20H,5,8-9,14H2,1H3,(H2,26,27,28,30)InChIKey
JXFFFUDTDLWZCZ-UHFFFAOYSA-NSynonyms
537042-91-42methylsulfanyl5(4phenylmethoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
5(4(benzyloxy)phenyl)2(methylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
537042914
CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)CCC3
CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)OCc1ccccc1)C(=O)CCC3
InChI=1SC25H23N3O3Sc13225272322(24(30)2825)20(2118(2623)85919(21)29)16101217(131116)3114156324715h2467101320H58914H21H3(H226272830)
MFCD04212078
ZINC000001132351
ZINC000009704198
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