Vitas-M small molecule compound
8,8-dimethyl-5-[4-(propan-2-yl)phenyl]-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918755
SMILES CCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(C)C)C(=O)CC(C3)(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 C25H31N3O2S MW 437.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O2S/c1-6-11-31-24-27-22-21(23(30)28-24)19(16-9-7-15(8-10-16)14(2)3)20-17(26-22)12-25(4,5)13-18(20)29/h7-10,14,19H,6,11-13H2,1-5H3,(H2,26,27,28,30)InChIKey
QTVGNHNGDIGMKF-UHFFFAOYSA-NSynonyms
88dimethyl5(4(propan2yl)phenyl)2(propylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl5(4propan2ylphenyl)2propylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)C(C)C)C(=O)CC(C3)(C)C
CCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(C)C)C(=O)CC(C3)(C)C
InChI=1SC25H31N3O2Sc16113124272221(23(30)2824)19(169715(81016)14(2)3)2017(2622)1225(45)1318(20)29h7101419H61113H215H3(H226272830)
MFCD06305386
ZINC000016807390
ZINC000016807392
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