Vitas-M small molecule compound
3-[5-(ethoxycarbonyl)-1-ethyl-2-methyl-1H-3,1-benzimidazol-3-ium-3-yl]propane-1-sulfonate
Catalog ID
STK396273
SMILES CCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(n2CC)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 C16H22N2O5S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O5S/c1-4-17-12(3)18(9-6-10-24(20,21)22)15-11-13(7-8-14(15)17)16(19)23-5-2/h7-8,11H,4-6,9-10H2,1-3H3InChIKey
JCCIQGDNNSRLTI-UHFFFAOYSA-NSynonyms
32634-39-21HBENZIMIDAZOLIUM5(ETHOXYCARBONYL)1ETHYL2METHYL3(3SULFOPROPYL)INNERSALT
3(5(ethoxycarbonyl)1ethyl2methyl1H31benzimidazol3ium3yl)propane1sulfonate
3(5(ETHOXYCARBONYL)1ETHYL2METHYLBENZIMIDAZOL3YL)PROPANESULFONICACID
3(6(ETHOXYCARBONYL)3ETHYL2METHYL3HBENZIMIDAZOL1IUM1YL)PROPANE1SULFONATE
3(6(ETHOXYCARBONYL)3ETHYL2METHYLBENZIMIDAZOLYL)PROPANESULFONICACID
3(6ETHOXYCARBONYL3ETHYL2METHYLBENZIMIDAZOL3IUM1YL)PROPANE1SULFONATE
32634392
5(ETHOXYCARBONYL)1ETHYL2METHYL3(3SULFONATOPROPYL)1H13BENZODIAZOL3IUM
CC(N+)1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCCS(=O)(=O)(O))C
CCOC(=O)c1ccc2c(c1)(n+)(CCCS(=O)(=O)(O))c(n2CC)C
InChI=1SC16H22N2O5Sc141712(3)18(961024(2021)22)151113(7814(15)17)16(19)2352h7811H46910H213H3
MFCD00387477
ZINC000001786799
ZINC01786799
ZINC12504566
Check stock
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Check stock on Vitas-MAvailable files
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