Vitas-M small molecule compound
1-cyclooctyl-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydro-3H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3-one
Catalog ID
STL521431
SMILES COc1cc(cc2c1OCCO2)c1c2c(=O)[nH]n(c2nc2c1oc1c2ccc(c1)O)C1CCCCCCC1
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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 C29H29N3O6 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6/c1-35-21-13-16(14-22-26(21)37-12-11-36-22)23-24-28(30-25-19-10-9-18(33)15-20(19)38-27(23)25)32(31-29(24)34)17-7-5-3-2-4-6-8-17/h9-10,13-15,17,33H,2-8,11-12H2,1H3,(H,31,34)InChIKey
MBCZQQWYIAJMAU-UHFFFAOYSA-NSynonyms
1cyclooctyl7hydroxy4(8methoxy23dihydro14benzodioxin6yl)12dihydro3H(1)benzofuro(32b)pyrazolo(43e)pyridin3one
1cyclooctyl7hydroxy4(8methoxy23dihydrobenzo(b)(14)dioxin6yl)1Hbenzofuro(32b)pyrazolo(43e)pyridin3(2H)one
COc1cc(cc2c1OCCO2)c1c2c(=O)(nH)n(c2nc2c1oc1c2ccc(c1)O)C1CCCCCCC1
InChI=1SC29H29N3O6c135211316(142226(21)3712113622)232428(30251910918(33)1520(19)3827(23)25)32(3129(24)34)17753246817h91013151733H281112H21H3(H3134)
MFCD22574380
ZINC000079189768
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