Vitas-M small molecule compound
16-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK594867
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1c(c2)OCCCO1)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 C29H29NO5 MW 471.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5/c1-29(2)14-22-28(23(31)15-29)20(17-4-5-24-25(10-17)35-16-34-24)12-21-19-13-27-26(32-8-3-9-33-27)11-18(19)6-7-30(21)22/h4-5,10-13,20H,3,6-9,14-16H2,1-2H3InChIKey
CNCQQZQRIXUPLG-UHFFFAOYSA-NSynonyms
16(13benzodioxol5yl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(benzo(d)(13)dioxol5yl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC7=C(C=C6)OCO7)C(=O)C1)C
InChI=1SC29H29NO5c129(2)142228(23(31)1529)20(17452425(1017)35163424)122119132726(328393327)1118(19)6730(21)22h45101320H3691416H212H3
MFCD07639479
ZINC000009058661
ZINC000009128965
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