Vitas-M small molecule compound
5-chloro-1-(3-methoxypropyl)-2,3-dimethyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STL363154
SMILES COCCCn1c(C)[n+](c2c1ccc(c2)Cl)C
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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 C13H18ClN2O MW 253.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18ClN2O/c1-10-15(2)13-9-11(14)5-6-12(13)16(10)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3/q+1InChIKey
QOXLJQCZBWTABN-UHFFFAOYSA-NSynonyms
5chloro1(3methoxypropyl)23dimethyl1H31benzimidazol3ium
5CHLORO1(3METHOXYPROPYL)23DIMETHYLBENZIMIDAZOL1IUM
6CHLORO3(3METHOXYPROPYL)12DIMETHYL3HBENZOIMIDAZOL1IUM
CC1=(N+)(C2=C(N1C)C=C(C=C2)Cl)CCCOC
COCCCn1c(C)(n+)(c2c1ccc(c2)Cl)C
InChI=1SC13H18ClN2Oc11015(2)13911(14)5612(13)16(10)748173h569H478H213H3q+1
MFCD00602373
ZINC000017145431
ZINC17145431
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