Vitas-M small molecule compound
(2Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK117241
SMILES COc1cc2OCOc2cc1/C=C(/c1cccc(c1)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 C17H12BrNO3 MW 358.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrNO3/c1-20-15-8-17-16(21-10-22-17)7-12(15)5-13(9-19)11-3-2-4-14(18)6-11/h2-8H,10H2,1H3/b13-5+InChIKey
MOAFFYQGRSPDKK-WLRTZDKTSA-NSynonyms
(2Z)2(3BROMOPHENYL)3(6METHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
(Z)2(3BROMOPHENYL)3(6METHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
COC1=CC2=C(C=C1C=C(C#N)C3=CC(=CC=C3)Br)OCO2
COc1cc2OCOc2cc1C=C(c1cccc(c1)Br)C#N
InChI=1SC17H12BrNO3c1201581716(21102217)712(15)513(919)1132414(18)611h28H10H21H3b135+
MFCD04127848
ZINC000004690969
ZINC04690969
ZINC4690969
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