Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334921
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cc3OCOc3cc2[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 C25H22N4O8 MW 506.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O8/c1-34-17-4-3-11(7-18(17)35-2)12-5-14-22(16(30)6-12)21(23-24(26-14)27-28-25(23)31)13-8-19-20(37-10-36-19)9-15(13)29(32)33/h3-4,7-9,12,21H,5-6,10H2,1-2H3,(H3,26,27,28,31)/t12-,21-/m0/s1InChIKey
METTWRGFIZYHPH-QKVFXAPYSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(6nitro13benzodioxol5yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(6nitro13benzodioxol5yl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cc3OCOc3cc2(N+)(=O)(O))c(n(nH)1)O
InChI=1SC25H22N4O8c134174311(718(17)352)1251422(16(30)612)21(2324(2614)272825(23)31)1381920(37103619)915(13)29(32)33h34791221H5610H212H3(H326272831)t1221m0s1
MFCD13368765
ZINC000018197789
ZINC18197789
Check stock
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Check stock on Vitas-MAvailable files
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