Vitas-M small molecule compound
4-[4-(benzyloxy)-3-methoxyphenyl]-3-hydroxy-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333269
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c1c(O)n[nH]3)CC(CC2=O)(C)C
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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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-26(2)12-17-22(18(30)13-26)21(23-24(27-17)28-29-25(23)31)16-9-10-19(20(11-16)32-3)33-14-15-7-5-4-6-8-15/h4-11,21H,12-14H2,1-3H3,(H3,27,28,29,31)InChIKey
SCHNXDWGPIMMEB-UHFFFAOYSA-NSynonyms
4(3methoxy4phenylmethoxyphenyl)77dimethyl124689hexahydropyrazolo(34b)quinoline35dione
4(4(benzyloxy)3methoxyphenyl)3hydroxy77dimethyl146789hexahydro5Hpyrazolo(34b)quinolin5one
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C1)C
COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c1c(O)n(nH)3)CC(CC2=O)(C)C
InChI=1SC26H27N3O4c126(2)121722(18(30)1326)21(2324(2717)282925(23)31)1691019(20(1116)323)3314157546815h41121H1214H213H3(H327282931)
MFCD09910509
ZINC000018195614
ZINC000018195616
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