Vitas-M small molecule compound
2-phenyl-7-(thiophen-2-yl)-4-[4-(trifluoromethoxy)phenyl]-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335911
SMILES O=C1CC(CC2=C1C(c1ccc(cc1)OC(F)(F)F)c1c(N2)[nH]n(c1=O)c1ccccc1)c1cccs1
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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 C27H20F3N3O3S MW 523.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3N3O3S/c28-27(29,30)36-18-10-8-15(9-11-18)22-23-19(13-16(14-20(23)34)21-7-4-12-37-21)31-25-24(22)26(35)33(32-25)17-5-2-1-3-6-17/h1-12,16,22,31-32H,13-14H2InChIKey
LLZFROOGVPLWNQ-UHFFFAOYSA-NSynonyms
2phenyl7(thiophen2yl)4(4(trifluoromethoxy)phenyl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
2phenyl7thiophen2yl4(4(trifluoromethoxy)phenyl)146789hexahydropyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)OC(F)(F)F)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC27H20F3N3O3Sc2827(2930)361810815(91118)222319(1316(1420(23)34)2174123721)312524(22)26(35)33(3225)175213617h11216223132H1314H2
MFCD09964341
O=C1CC(CC2=C1C(c1ccc(cc1)OC(F)(F)F)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000102055160
ZINC000102055174
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