Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334430
SMILES CCOc1ccc(cc1)[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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-4-34-17-8-5-14(6-9-17)22-23-18(27-25-24(22)26(31)29-28-25)11-16(12-19(23)30)15-7-10-20(32-2)21(13-15)33-3/h5-10,13,16,22H,4,11-12H2,1-3H3,(H3,27,28,29,31)/t16-,22-/m0/s1InChIKey
DKWUOJYPUZSSRZ-AOMKIAJQSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)4(4ethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(4ethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=C2C(=O)NN5
CCOc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n(nH)2
InChI=1SC26H27N3O5c1434178514(6917)222318(272524(22)26(31)292825)1116(1219(23)30)1571020(322)21(1315)333h510131622H41112H213H3(H327282931)t1622m0s1
MFCD13368715
ZINC000018197105
ZINC18197105
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