Vitas-M small molecule compound
4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)ammonio]benzoate
Catalog ID
STK596553
SMILES Clc1ccccc1OCCn1c(C[NH2+]c2ccc(cc2)C(=O)[O-])nc2c1cccc2
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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 C23H20ClN3O3 MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O3/c24-18-5-1-4-8-21(18)30-14-13-27-20-7-3-2-6-19(20)26-22(27)15-25-17-11-9-16(10-12-17)23(28)29/h1-12,25H,13-15H2,(H,28,29)InChIKey
WCDGAMMJLZDUAT-UHFFFAOYSA-NSynonyms
713080-52-54(((1(2(2CHLOROPHENOXY)ETHYL)1HBENZIMIDAZOL2YL)METHYL)AMINO)BENZOICACID
4(((1(2(2chlorophenoxy)ethyl)1Hbenzimidazol2yl)methyl)ammonio)benzoate
4((1(2(2CHLOROPHENOXY)ETHYL)BENZIMIDAZOL2YL)METHYLAMINO)BENZOICACID
4((1(2(2chlorophenoxy)ethyl)benzimidazol2yl)methylazaniumyl)benzoate
713080525
C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)C(NH2+)C4=CC=C(C=C4)C(=O)(O)
Clc1ccccc1OCCn1c(C(NH2+)c2ccc(cc2)C(=O)(O))nc2c1cccc2
InChI=1SC23H20ClN3O3c2418514821(18)3014132720732619(20)2622(27)15251711916(101217)23(28)29h11225H1315H2(H2829)
MFCD05998039
ZINC000001071982
ZINC1071982
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