Vitas-M small molecule compound

(3Z)-1-(bicyclo[2.2.1]hept-2-yl)-3-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)propan-2-one

Catalog ID
STL531679
SMILES O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CC1CC2CC1CC2

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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 C20H23NO3 MW 325.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3/c22-16(7-15-6-12-1-2-13(15)5-12)9-18-17-10-20-19(23-11-24-20)8-14(17)3-4-21-18/h8-10,12-13,15,21H,1-7,11H2/b18-9-
InChIKey
CBAXMSGGEBAKNN-NVMNQCDNSA-N
Synonyms
1217868-25-1
(3~(Z))1(2bicyclo(221)heptanyl)3(78dihydro6~(H)(13)dioxolo(45g)isoquinolin5ylidene)propan2one
(3Z)1(bicyclo(221)hept2yl)3(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)propan2one
(Z)1(BICYCLO(221)HEPTAN2YL)3(78DIHYDRO(13)DIOXOLO(45G)ISOQUINOLIN5(6H)YLIDENE)PROPAN2ONE
1217868251
16405500
InChI=1SC20H23NO3c2216(7156121213(15)512)91817102019(23112420)814(17)342118h81012131521H1711H2b189
MFCD08361822
O=C(C=C1NCCc2c1cc1OCOc1c2)CC1CC2CC1CC2
ZINC000105382723
ZINC000105382726

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Available files

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