Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980811
SMILES COc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-27(2)13-19-22(20(31)14-27)21(17-9-11-18(33-3)12-10-17)23-24(28-19)29-26(30-25(23)32)34-15-16-7-5-4-6-8-16/h4-12,21H,13-15H2,1-3H3,(H2,28,29,30,32)InChIKey
TTZUDXORABLPAE-UHFFFAOYSA-NSynonyms
328021-59-62(BENZYLSULFANYL)5(4METHOXYPHENYL)88DIMETHYL1H4H5H6H7H8H9H10HPYRIMIDO(45B)QUINOLINE46DIONE
2(benzylsulfanyl)5(4methoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4methoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
328021596
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C
COc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC27H27N3O3Sc127(2)131922(20(31)1427)21(1791118(333)121017)2324(2819)2926(3025(23)32)3415167546816h41221H1315H213H3(H228293032)
MFCD02209892
ZINC000001221289
ZINC000001221290
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