Vitas-M small molecule compound

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

Catalog ID
STK396852
SMILES N#Cc1ccccc1COc1ccc(cc1)/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 C24H15NO3 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15NO3/c25-14-17-5-1-2-6-18(17)15-28-19-11-9-16(10-12-19)13-22-23(26)20-7-3-4-8-21(20)24(22)27/h1-13H,15H2
InChIKey
SHWGCWAHUUGCCG-UHFFFAOYSA-N
Synonyms

2((4((13dioxo13dihydro2Hinden2ylidene)methyl)phenoxy)methyl)benzonitrile
2((4((13DIOXOCYCLOPENTA(34A)BENZEN2YLIDENE)METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((4((13DIOXOINDEN2YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=C3C(=O)C4=CC=CC=C4C3=O)C#N
InChI=1SC24H15NO3c251417512618(17)15281911916(101219)132223(26)20734821(20)24(22)27h113H15H2
MFCD01655514
N#Cc1ccccc1COc1ccc(cc1)C=C1C(=O)c2c(C1=O)cccc2
ZINC000000665172
ZINC00665172
ZINC665172

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Available files

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