Vitas-M small molecule compound
(2E)-2-(2,3,4-trimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one
Catalog ID
STK071437
SMILES COc1c(ccc(c1OC)OC)/C=C\1/N2CCC(C1=O)CC2
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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 C17H21NO4 MW 303.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO4/c1-20-14-5-4-12(16(21-2)17(14)22-3)10-13-15(19)11-6-8-18(13)9-7-11/h4-5,10-11H,6-9H2,1-3H3/b13-10+InChIKey
LQCSRCSARGNRNK-JLHYYAGUSA-NSynonyms
(1s4sZ)2(234trimethoxybenzylidene)quinuclidin3one
(2E)2((234TRIMETHOXYPHENYL)METHYLIDENE)1AZABICYCLO(222)OCTAN3ONE
(2E)2(234TRIMETHOXYBENZYLIDENE)1AZABICYCLO(222)OCTAN3ONE
3((234TRIMETHOXYPHENYL)METHYLENE)4AZABICYCLO(222)OCTAN2ONE
COC1=C(C(=C(C=C1)C=C2C(=O)C3CCN2CC3)OC)OC
COc1c(ccc(c1OC)OC)C=C1N2CC(C@@H)(C1=O)CC2
COc1c(ccc(c1OC)OC)C=C1N2CCC(C1=O)CC2
InChI=1SC17H21NO4c120145412(16(212)17(14)223)101315(19)116818(13)9711h451011H69H213H3b1310+
MFCD00816618
STK071437
ZINC000032511734
ZINC32511734
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