Vitas-M small molecule compound
(2Z)-2-(4-bromophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK111035
SMILES CCOc1cc2OCOc2cc1/C=C(/c1ccc(cc1)Br)\C#N
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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 C18H14BrNO3 MW 372.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrNO3/c1-2-21-16-9-18-17(22-11-23-18)8-13(16)7-14(10-20)12-3-5-15(19)6-4-12/h3-9H,2,11H2,1H3/b14-7+InChIKey
FYSAILCSOXTVEN-VGOFMYFVSA-NSynonyms
(2Z)2(4BROMOPHENYL)3(6ETHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
(Z)2(4BROMOPHENYL)3(6ETHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
CCOC1=CC2=C(C=C1C=C(C#N)C3=CC=C(C=C3)Br)OCO2
CCOc1cc2OCOc2cc1C=C(c1ccc(cc1)Br)C#N
InChI=1SC18H14BrNO3c12211691817(22112318)813(16)714(1020)123515(19)6412h39H211H21H3b147+
MFCD04127676
ZINC000004680677
ZINC04680677
ZINC4680677
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