Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)carbonyl]prop-2-enenitrile
Catalog ID
STK104359
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=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 C18H13NO3 MW 291.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO3/c1-12-2-5-14(6-3-12)18(20)15(10-19)8-13-4-7-16-17(9-13)22-11-21-16/h2-9H,11H2,1H3/b15-8+InChIKey
INBFSDQSDWGBOZ-OVCLIPMQSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)2((4METHYLPHENYL)CARBONYL)PROP2ENENITRILE
(E)3(13BENZODIOXOL5YL)2(4METHYLBENZOYL)PROP2ENENITRILE
CC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N
InChI=1SC18H13NO3c1122514(6312)18(20)15(1019)813471617(913)22112116h29H11H21H3b158+
MFCD07687269
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)c1ccc(cc1)C
ZINC000004679822
ZINC04679822
ZINC4679822
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