Vitas-M small molecule compound
1,3-bis(3-chloro-2-hydroxypropyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STL325967
SMILES ClCC(Cn1c2ccccc2[n+](c1C)CC(CCl)O)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 C14H19Cl2N2O2 MW 318.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19Cl2N2O2/c1-10-17(8-11(19)6-15)13-4-2-3-5-14(13)18(10)9-12(20)7-16/h2-5,11-12,19-20H,6-9H2,1H3/q+1InChIKey
OFWSHZQCHDOJCQ-UHFFFAOYSA-NSynonyms
(O)(Cl)(=O)(=O)=OClCC(Cn1c2ccccc2(n+)(c1C)CC(CCl)O)O
13bis(3chloro2hydroxypropyl)2methyl1H31benzimidazol3ium
13bis(3chloro2hydroxypropyl)2methyl1Hbenzo(d)imidazol3iumperchlorate
1CHLORO3(3(3CHLORO2HYDROXYPROPYL)2METHYLBENZIMIDAZOL3IUM1YL)PROPAN2OL
CC1=(N+)(C2=CC=CC=C2N1CC(CCl)O)CC(CCl)O
ClCC(Cn1c2ccccc2(n+)(c1C)CC(CCl)O)O
InChI=1SC14H19Cl2N2O2c11017(811(19)615)13423514(13)18(10)912(20)716h2511121920H69H21H3q+1
MFCD01876888
ZINC000000500461
ZINC000000500464
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