Vitas-M small molecule compound
4-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-5-methoxyphenoxy}butanenitrile
Catalog ID
STK287304
SMILES N#CCCCOc1cc(OC)c(cc1Br)/C=C(/c1nc2c([nH]1)cccc2)\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 C21H17BrN4O2 MW 437.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2/c1-27-19-12-20(28-9-5-4-8-23)16(22)11-14(19)10-15(13-24)21-25-17-6-2-3-7-18(17)26-21/h2-3,6-7,10-12H,4-5,9H2,1H3,(H,25,26)/b15-10+InChIKey
RSSLPTPMIZYYEI-XNTDXEJSSA-NSynonyms
4(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2bromo5methoxyphenoxy)butanenitrile
COC1=CC(=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCCCC#N
InChI=1SC21H17BrN4O2c127191220(28954823)16(22)1114(19)1015(1324)212517623718(17)2621h23671012H459H21H3(H2526)b1510+
MFCD06761335
N#CCCCOc1cc(OC)c(cc1Br)C=C(c1nc2c((nH)1)cccc2)C#N
ZINC000009187423
ZINC09187423
ZINC9187423
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