Vitas-M small molecule compound

methyl {4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chloro-6-ethoxyphenoxy}acetate

Catalog ID
STK287694
SMILES CCOc1cc(cc(c1OCC(=O)OC)Cl)/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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-3-28-18-10-13(9-15(22)20(18)29-12-19(26)27-2)8-14(11-23)21-24-16-6-4-5-7-17(16)25-21/h4-10H,3,12H2,1-2H3,(H,24,25)/b14-8-
InChIKey
HFLKRTMWBIYPMF-ZSOIEALJSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Cl)OCC(=O)OC
CCOc1cc(cc(c1OCC(=O)OC)Cl)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC21H18ClN3O4c1328181013(915(22)20(18)291219(26)272)814(1123)212416645717(16)2521h410H312H212H3(H2425)b148
METHYL(4((Z)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)2CHLORO6ETHOXYPHENOXY)ACETATE
METHYL2(4((1Z)2BENZIMIDAZOL2YL2CYANOVINYL)2CHLORO6ETHOXYPHENOXY)ACETATE
METHYL2(4((Z)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)2CHLORO6ETHOXYPHENOXY)ACETATE
MFCD05668360
ZINC000004454017
ZINC04454017
ZINC4454017

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.