Vitas-M small molecule compound
5-(2,5-dimethoxyphenyl)-8,8-dimethyl-2-[(2-methylbenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK914580
SMILES COc1ccc(c(c1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1C)CC(CC2=O)(C)C)OC
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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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-16-8-6-7-9-17(16)15-37-28-31-26-25(27(34)32-28)23(19-12-18(35-4)10-11-22(19)36-5)24-20(30-26)13-29(2,3)14-21(24)33/h6-12,23H,13-15H2,1-5H3,(H2,30,31,32,34)InChIKey
FOVFLYDBIVMVLO-UHFFFAOYSA-NSynonyms
5(25dimethoxyphenyl)88dimethyl2((2methylbenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(25dimethoxyphenyl)88dimethyl2((2methylphenyl)methylsulfanyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1=CC=CC=C1CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=C(C=CC(=C5)OC)OC)C(=O)CC(C4)(C)C
COc1ccc(c(c1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1C)CC(CC2=O)(C)C)OC
InChI=1SC29H31N3O4Sc116867917(16)153728312625(27(34)3228)23(191218(354)101122(19)365)2420(3026)1329(23)1421(24)33h61223H1315H215H3(H230313234)
MFCD14748280
ZINC000009608810
ZINC000009608814
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