Vitas-M small molecule compound
(4R,7S)-4-(2,3-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334437
SMILES COc1cc(ccc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccc(c2OC)OC)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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-32-18-9-8-13(12-20(18)34-3)14-10-16-22(17(30)11-14)21(23-25(27-16)28-29-26(23)31)15-6-5-7-19(33-2)24(15)35-4/h5-9,12,14,21H,10-11H2,1-4H3,(H3,27,28,29,31)/t14-,21-/m0/s1InChIKey
FGIVTBRWZRWIHA-QKKBWIMNSA-NSynonyms
(4R7S)4(23dimethoxyphenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(23dimethoxyphenyl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=C(C(=CC=C5)OC)OC)C(=O)C2)OC
COc1cc(ccc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccc(c2OC)OC)c(n(nH)1)O
InChI=1SC26H27N3O6c132189813(1220(18)343)14101622(17(30)1114)21(2325(2716)282926(23)31)1565719(332)24(15)354h59121421H1011H214H3(H327282931)t1421m0s1
MFCD13368721
ZINC000018197115
ZINC18197115
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