Vitas-M small molecule compound
2-[(3-methylbutyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918690
SMILES CC(CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)C(F)(F)F)C(=O)CCC3)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 C23H24F3N3O2S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24F3N3O2S/c1-12(2)9-10-32-22-28-20-19(21(31)29-22)17(18-15(27-20)7-4-8-16(18)30)13-5-3-6-14(11-13)23(24,25)26/h3,5-6,11-12,17H,4,7-10H2,1-2H3,(H2,27,28,29,31)InChIKey
OHNCWBDWIFNIIT-UHFFFAOYSA-NSynonyms
2((3methylbutyl)sulfanyl)5(3(trifluoromethyl)phenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2(3methylbutylsulfanyl)5(3(trifluoromethyl)phenyl)1578910hexahydropyrimido(45b)quinoline46dione
CC(C)CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)C(F)(F)F)C(=O)CCC3
CC(CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)C(F)(F)F)C(=O)CCC3)C
InChI=1SC23H24F3N3O2Sc112(2)9103222282019(21(31)2922)17(1815(2720)74816(18)30)1353614(1113)23(2425)26h356111217H4710H212H3(H227282931)
MFCD05988910
ZINC000001117654
ZINC000001117655
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