Vitas-M small molecule compound
{5-bromo-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Catalog ID
STL172431
SMILES N#CCOc1cc(Br)c(cc1OC)/C=C/1\C(=O)c2c(C1=O)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 C19H12BrNO4 MW 398.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrNO4/c1-24-16-9-11(15(20)10-17(16)25-7-6-21)8-14-18(22)12-4-2-3-5-13(12)19(14)23/h2-5,8-10H,7H2,1H3InChIKey
UTQTYDVMJOYNJJ-UHFFFAOYSA-NSynonyms
(5bromo4((13dioxo13dihydro2Hinden2ylidene)methyl)2methoxyphenoxy)acetonitrile
2(5bromo4((13dioxoinden2ylidene)methyl)2methoxyphenoxy)acetonitrile
COC1=C(C=C(C(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#N
InChI=1SC19H12BrNO4c12416911(15(20)1017(16)257621)81418(22)12423513(12)19(14)23h25810H7H21H3
MFCD04047545
N#CCOc1cc(Br)c(cc1OC)C=C1C(=O)c2c(C1=O)cccc2
ZINC000002772492
ZINC02772492
ZINC2772492
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