Vitas-M small molecule compound
8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5-[2-(trifluoromethyl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918732
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1C(F)(F)F)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 C23H22F3N3O2S MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3N3O2S/c1-4-9-32-21-28-19-18(20(31)29-21)16(12-7-5-6-8-13(12)23(24,25)26)17-14(27-19)10-22(2,3)11-15(17)30/h4-8,16H,1,9-11H2,2-3H3,(H2,27,28,29,31)InChIKey
BMAJIWHHYGWCMB-UHFFFAOYSA-NSynonyms
88dimethyl2(prop2en1ylsulfanyl)5(2(trifluoromethyl)phenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2prop2enylsulfanyl5(2(trifluoromethyl)phenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1C(F)(F)F)C(=O)CC(C3)(C)C
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC=C)C4=CC=CC=C4C(F)(F)F)C(=O)C1)C
InChI=1SC23H22F3N3O2Sc1493221281918(20(31)2921)16(12756813(12)23(2425)26)1714(2719)1022(23)1115(17)30h4816H1911H223H3(H227282931)
MFCD05988959
ZINC000016345530
ZINC000016345533
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