Vitas-M small molecule compound

2-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile

Catalog ID
STK396802
SMILES COc1cc(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 C25H17NO4 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17NO4/c1-29-23-13-16(12-21-24(27)19-8-4-5-9-20(19)25(21)28)10-11-22(23)30-15-18-7-3-2-6-17(18)14-26/h2-13H,15H2,1H3
InChIKey
AIHBSSZVEOXBSA-UHFFFAOYSA-N
Synonyms

2((4((13dioxo13dihydro2Hinden2ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
2((4((13DIOXOCYCLOPENTA(34A)BENZEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZENECARBONITRILE
2((4((13DIOXOINDEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=CC=C4C#N
COc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H17NO4c129231316(122124(27)19845920(19)25(21)28)101122(23)301518732617(18)1426h213H15H21H3
MFCD01655517
ZINC000004180303
ZINC04180303
ZINC4180303

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Available files

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