Vitas-M small molecule compound
(4R,7S)-4-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334426
SMILES COc1ccc(c(c1)OC)[C@H]1C2=C(C[C@@H](CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n[nH]2
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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/c1-32-15-6-7-16(20(12-15)34-3)22-23-17(27-25-24(22)26(31)29-28-25)9-14(10-18(23)30)13-5-8-19(33-2)21(11-13)35-4/h5-8,11-12,14,22H,9-10H2,1-4H3,(H3,27,28,29,31)/t14-,22-/m0/s1InChIKey
LNOOLINBEQYGFW-FPTDNZKUSA-NSynonyms
(4R7S)4(24dimethoxyphenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(24dimethoxyphenyl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=C2C(=O)NN5)OC
COc1ccc(c(c1)OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n(nH)2
InChI=1SC26H27N3O6c132156716(20(1215)343)222317(272524(22)26(31)292825)914(1018(23)30)135819(332)21(1113)354h5811121422H910H214H3(H327282931)t1422m0s1
MFCD13368711
ZINC000018197097
ZINC18197097
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