Vitas-M small molecule compound
2-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]-4-bromophenolate
Catalog ID
STL037105
SMILES Brc1ccc(c(c1)CNc1[nH]c2c([nH+]1)cccc2)[O-]
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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 C14H12BrN3O MW 318.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O/c15-10-5-6-13(19)9(7-10)8-16-14-17-11-3-1-2-4-12(11)18-14/h1-7,19H,8H2,(H2,16,17,18)InChIKey
CRRYESIQBMIMNT-UHFFFAOYSA-NSynonyms
371219-81-72((1H31benzimidazol3ium2ylamino)methyl)4bromophenolate
2((1Hbenzimidazol1ium2ylamino)methyl)4bromophenolate
2((1HBENZIMIDAZOL2YLAMINO)METHYL)4BROMOPHENOL
371219817
4BROMO2((13DIHYDRO2HBENZIMIDAZOL2YLIDENEAMMONIO)METHYL)PHENOLATE
4BROMO2(13DIHYDROBENZIMIDAZOL2YLIDENEAZANIUMYLMETHYL)PHENOLATE
Brc1ccc(c(c1)CNc1(nH)c2c((nH+)1)cccc2)(O)
C1=CC=C2C(=C1)(NH2+)C(=N2)NCC3=C(C=CC(=C3)Br)(O)
InChI=1SC14H12BrN3Oc15105613(19)9(710)816141711312412(11)1814h1719H8H2(H2161718)
MFCD02736001
ZINC000000111412
ZINC111412
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