Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)prop-2-enenitrile
Catalog ID
STK292981
SMILES N#C/C(=C/c1ccc2c(c1)OCO2)/c1ccc(cc1)Br
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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 C16H10BrNO2 MW 328.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10BrNO2/c17-14-4-2-12(3-5-14)13(9-18)7-11-1-6-15-16(8-11)20-10-19-15/h1-8H,10H2/b13-7-InChIKey
PHGMAXFCVQZSBU-QPEQYQDCSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)2(4BROMOPHENYL)PROP2ENENITRILE
(E)3(13BENZODIOXOL5YL)2(4BROMOPHENYL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)Br
InChI=1SC16H10BrNO2c17144212(3514)13(918)711161516(811)20101915h18H10H2b137
MFCD03931019
N#CC(=Cc1ccc2c(c1)OCO2)c1ccc(cc1)Br
ZINC000004807778
ZINC04807778
ZINC4807778
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