Vitas-M small molecule compound

(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

Catalog ID
STK334117
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccc(c2)[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/c1-33-18-7-6-12(11-19(18)34-2)14-9-16-21(17(29)10-14)20(22-23(25-16)26-27-24(22)30)13-4-3-5-15(8-13)28(31)32/h3-8,11,14,20H,9-10H2,1-2H3,(H3,25,26,27,30)/t14-,20-/m0/s1
InChIKey
STGUKZHQWMVHLN-XOBRGWDASA-N
Synonyms

(4R7S)7(34dimethoxyphenyl)3hydroxy4(3nitrophenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(3nitrophenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccc(c2)(N+)(=O)(O))c(n(nH)1)O
InChI=1SC24H22N4O6c133187612(1119(18)342)1491621(17(29)1014)20(2223(2516)262724(22)30)1343515(813)28(31)32h38111420H910H212H3(H325262730)t1420m0s1
MFCD13368689
ZINC000018196957
ZINC18196957

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Available files

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