Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
Catalog ID
STK192462
SMILES N#C/C(=C/c1cc2OCOc2cc1Cl)/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 C17H12ClNO2 MW 297.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO2/c1-11-2-4-12(5-3-11)14(9-19)6-13-7-16-17(8-15(13)18)21-10-20-16/h2-8H,10H2,1H3/b14-6-InChIKey
LQXLBFAWWKDQKJ-NSIKDUERSA-NSynonyms
(2E)3(6CHLORO13BENZODIOXOL5YL)2(4METHYLPHENYL)PROP2ENENITRILE
(E)3(6CHLORO13BENZODIOXOL5YL)2(4METHYLPHENYL)PROP2ENENITRILE
(E)3(6CHLOROBENZO(13)DIOXOL5YL)2PTOLYLACRYLONITRILE
CC1=CC=C(C=C1)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC17H12ClNO2c1112412(5311)14(919)61371617(815(13)18)21102016h28H10H21H3b146
MFCD04390766
N#CC(=Cc1cc2OCOc2cc1Cl)c1ccc(cc1)C
ZINC000004501683
ZINC04501683
ZINC4501683
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