Vitas-M small molecule compound
(2E)-2-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)prop-2-enenitrile
Catalog ID
STK293063
SMILES N#C/C(=C/c1ccc(cc1)Br)/c1ccc2c(c1)OCO2
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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/c17-14-4-1-11(2-5-14)7-13(9-18)12-3-6-15-16(8-12)20-10-19-15/h1-8H,10H2/b13-7-InChIKey
YTRKDKRRQIHYGA-QPEQYQDCSA-NSynonyms
(2E)2(13BENZODIOXOL5YL)3(4BROMOPHENYL)PROP2ENENITRILE
(E)2(13BENZODIOXOL5YL)3(4BROMOPHENYL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C=C2)C(=CC3=CC=C(C=C3)Br)C#N
InChI=1SC16H10BrNO2c17144111(2514)713(918)12361516(812)20101915h18H10H2b137
MFCD05824554
N#CC(=Cc1ccc(cc1)Br)c1ccc2c(c1)OCO2
ZINC000016361823
ZINC16361823
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