Vitas-M small molecule compound
2-{(E)-2-[1-(2-hydroxyethyl)-3,3-dimethyl-3H-indolium-2-yl]ethenyl}-6-methoxyphenolate
Catalog ID
STL514175
SMILES OCC[N+]1=C(/C=C/c2cccc(c2[O-])OC)C(c2c1cccc2)(C)C
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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 C21H23NO3 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3/c1-21(2)16-8-4-5-9-17(16)22(13-14-23)19(21)12-11-15-7-6-10-18(25-3)20(15)24/h4-12,23H,13-14H2,1-3H3InChIKey
SQLVYYUCCFIXPO-UHFFFAOYSA-NSynonyms
2((E)2(1(2hydroxyethyl)33dimethyl3Hindolium2yl)ethenyl)6methoxyphenolate
InChI=1SC21H23NO3c121(2)16845917(16)22(131423)19(21)121115761018(253)20(15)24h41223H1314H213H3
MFCD03798065
ZINC000033567497
ZINC000136450247
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