Vitas-M small molecule compound
2-[2-(4-tert-butylphenyl)-2-oxoethyl]isoquinolinium
Catalog ID
STL267657
SMILES O=C(c1ccc(cc1)C(C)(C)C)C[n+]1ccc2c(c1)cccc2
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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 C21H22NO MW 304.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22NO/c1-21(2,3)19-10-8-17(9-11-19)20(23)15-22-13-12-16-6-4-5-7-18(16)14-22/h4-14H,15H2,1-3H3/q+1InChIKey
HGMYNZJRFIBINH-UHFFFAOYSA-NSynonyms
1(4TERTBUTYLPHENYL)2ISOQUINOLIN2IUM2YLETHANONE
2(2(4tertbutylphenyl)2oxoethyl)isoquinolinium
CC(C)(C)C1=CC=C(C=C1)C(=O)C(N+)2=CC3=CC=CC=C3C=C2
InChI=1SC21H22NOc121(23)1910817(91119)20(23)1522131216645718(16)1422h414H15H213H3q+1
MFCD03545888
O=C(c1ccc(cc1)C(C)(C)C)C(n+)1ccc2c(c1)cccc2
ZINC000005632527
ZINC05632527
ZINC5632527
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