Vitas-M small molecule compound
14-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK577175
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1c(c2)OCO1)c1ccc2c(c1)OCO2
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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 C27H25NO5 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5/c1-27(2)11-20-26(21(29)12-27)18(15-3-4-22-23(7-15)31-13-30-22)9-19-17-10-25-24(32-14-33-25)8-16(17)5-6-28(19)20/h3-4,7-10,18H,5-6,11-14H2,1-2H3InChIKey
YWFXQUPRWGIYQB-UHFFFAOYSA-NSynonyms
14(13benzodioxol5yl)33dimethyl2346714hexahydro1H(13)dioxolo(67)isoquino(21a)quinolin1one
14(benzo(d)(13)dioxol5yl)33dimethyl2346714hexahydro1H(13)dioxolo(4567)isoquinolino(21a)quinolin1one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCO5)C6=CC7=C(C=C6)OCO7)C(=O)C1)C
InChI=1SC27H25NO5c127(2)112026(21(29)1227)18(15342223(715)31133022)91917102524(32143325)816(17)5628(19)20h3471018H561114H212H3
MFCD07638595
ZINC000009058571
ZINC000009058572
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