Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-ethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980812
SMILES CCOc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1)CC(CC2=O)(C)C
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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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-4-34-19-12-10-18(11-13-19)22-23-20(14-28(2,3)15-21(23)32)29-25-24(22)26(33)31-27(30-25)35-16-17-8-6-5-7-9-17/h5-13,22H,4,14-16H2,1-3H3,(H2,29,30,31,33)InChIKey
FXZPIKAUPYHJRI-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4ethoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4ethoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
CCOc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1)CC(CC2=O)(C)C
InChI=1SC28H29N3O3Sc143419121018(111319)222320(1428(23)1521(23)32)292524(22)26(33)3127(3025)3516178657917h51322H41416H213H3(H229303133)
MFCD04457365
ZINC000002719398
ZINC000002719399
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