Vitas-M small molecule compound
7-[(4-methylphenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Catalog ID
STK259046
SMILES N#Cc1cc2OCCOc2cc1C(=O)c1ccc(cc1)C
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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 C17H13NO3 MW 279.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO3/c1-11-2-4-12(5-3-11)17(19)14-9-16-15(8-13(14)10-18)20-6-7-21-16/h2-5,8-9H,6-7H2,1H3InChIKey
XPPJEQLRVUJQAK-UHFFFAOYSA-NSynonyms
14BENZODIOXIN6CARBONITRILE23DIHYDRO7(4METHYLBENZOYL)
6(4methylbenzoyl)23dihydro14benzodioxine7carbonitrile
7((4methylphenyl)carbonyl)23dihydro14benzodioxine6carbonitrile
CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C#N)OCCO3
InChI=1SC17H13NO3c1112412(5311)17(19)1491615(813(14)1018)20672116h2589H67H21H3
MFCD08685723
ZINC000009028672
ZINC09028672
ZINC9028672
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