Vitas-M small molecule compound
13-(1,3-benzodioxol-5-yl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STL530421
SMILES COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3ccc4c(c3)OCO4)c2cc1OC
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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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-28(2)13-21-27(22(30)14-28)19(16-5-6-23-26(10-16)34-15-33-23)11-20-18-12-25(32-4)24(31-3)9-17(18)7-8-29(20)21/h5-6,9-12,19H,7-8,13-15H2,1-4H3InChIKey
AUKDOVSWGRJZLV-UHFFFAOYSA-NSynonyms
903456-49-513(13benzodioxol5yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(13benzodioxol5yl)910dimethoxy33dimethyl46713tetrahydro2~(H)isoquinolino(21a)quinolin1one
13(benzo(d)(13)dioxol5yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
16405971
903456495
InChI=1SC28H29NO5c128(2)132127(22(30)1428)19(16562326(1016)34153323)1120181225(324)24(313)917(18)7829(20)21h5691219H781315H214H3
MFCD07637347
ZINC000008876271
ZINC000012888979
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