Vitas-M small molecule compound
2-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK165295
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/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 C26H19NO4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO4/c1-2-30-24-14-17(13-22-25(28)20-9-5-6-10-21(20)26(22)29)11-12-23(24)31-16-19-8-4-3-7-18(19)15-27/h3-14H,2,16H2,1H3InChIKey
MQBMCRZHUMQPCT-UHFFFAOYSA-NSynonyms
2((4((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((13DIOXOINDEN2YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC26H19NO4c1230241417(132225(28)209561021(20)26(22)29)111223(24)311619843718(19)1527h314H216H21H3
MFCD03729591
ZINC000000980621
ZINC00980621
ZINC980621
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