Vitas-M small molecule compound
(3Z)-1-(bicyclo[2.2.1]hept-2-yl)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one
Catalog ID
STK599955
SMILES COc1cc2/C(=C/C(=O)CC3CC4CC3CC4)/NCCc2cc1OC
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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 C21H27NO3 MW 341.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3/c1-24-20-10-15-5-6-22-19(18(15)12-21(20)25-2)11-17(23)9-16-8-13-3-4-14(16)7-13/h10-14,16,22H,3-9H2,1-2H3/b19-11-InChIKey
ZGZYNBLFEFDTIJ-ODLFYWEKSA-NSynonyms
(3Z)1(3bicyclo(221)heptanyl)3(67dimethoxy34dihydro2Hisoquinolin1ylidene)propan2one
(3Z)1(bicyclo(221)hept2yl)3(67dimethoxy34dihydroisoquinolin1(2H)ylidene)propan2one
(Z)1((1S4R)bicyclo(221)heptan2yl)3(67dimethoxy34dihydroisoquinolin1(2H)ylidene)propan2one
COC1=C(C=C2C(=C1)CCNC2=CC(=O)CC3CC4CCC3C4)OC
COc1cc2C(=CC(=O)CC3C(C@H)4C(C@@H)3CC4)NCCc2cc1OC
COc1cc2C(=CC(=O)CC3CC4CC3CC4)NCCc2cc1OC
InChI=1SC21H27NO3c124201015562219(18(15)1221(20)252)1117(23)9168133414(16)713h10141622H39H212H3b1911
MFCD10488315
ZINC000105354859
ZINC000105354862
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