Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334422
SMILES COc1cc(ccc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)[N+](=O)[O-])c(n[nH]1)O
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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 C24H22N4O6 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6/c1-33-18-8-5-13(11-19(18)34-2)14-9-16-21(17(29)10-14)20(22-23(25-16)26-27-24(22)30)12-3-6-15(7-4-12)28(31)32/h3-8,11,14,20H,9-10H2,1-2H3,(H3,25,26,27,30)/t14-,20-/m0/s1InChIKey
FMCMMDCULPFGGF-XOBRGWDASA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(4nitrophenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(4nitrophenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C2)OC
COc1cc(ccc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)(N+)(=O)(O))c(n(nH)1)O
InChI=1SC24H22N4O6c133188513(1119(18)342)1491621(17(29)1014)20(2223(2516)262724(22)30)123615(7412)28(31)32h38111420H910H212H3(H325262730)t1420m0s1
MFCD13368707
ZINC000018197092
ZINC18197092
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