Vitas-M small molecule compound
2-[3-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl]benzoic acid
Catalog ID
STK335370
SMILES O=C1CC(CC2=C1C(c1cccc(c1)[N+](=O)[O-])c1c(N2)n(nc1C)c1ccccc1C(=O)O)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 C28H22N4O5S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O5S/c1-15-24-25(16-6-4-7-18(12-16)32(36)37)26-20(13-17(14-22(26)33)23-10-5-11-38-23)29-27(24)31(30-15)21-9-3-2-8-19(21)28(34)35/h2-12,17,25,29H,13-14H2,1H3,(H,34,35)InChIKey
FBANEWQEXNESHV-UHFFFAOYSA-NSynonyms
2(3methyl4(3nitrophenyl)5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin1yl)benzoicacid
MFCD09963956
O=C1CC(CC2=C1C(c1cccc(c1)(N+)(=O)(O))c1c(N2)n(nc1C)c1ccccc1C(=O)O)c1cccs1
ZINC000100891158
ZINC000100891161
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