Vitas-M small molecule compound
ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate
Catalog ID
STK684109
SMILES CCOC(=O)C1(Sc2nc3c([nH]2)cccc3)CC(OC1=O)(C)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 C16H18N2O4S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S/c1-4-21-12(19)16(9-15(2,3)22-13(16)20)23-14-17-10-7-5-6-8-11(10)18-14/h5-8H,4,9H2,1-3H3,(H,17,18)InChIKey
HYLOPWISEZEFQQ-UHFFFAOYSA-NSynonyms
2OXO3(1HBENZIMIDAZOLE2YLTHIO)55DIMETHYLTETRAHYDROFURAN3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1(CC(OC1=O)(C)C)SC2=NC3=CC=CC=C3N2
CCOC(=O)C1(Sc2nc3c((nH)2)cccc3)CC(OC1=O)(C)C
ETHYL(3R)3(1HBENZIMIDAZOL2YLSULFANYL)55DIMETHYL2OXOTETRAHYDROFURAN3CARBOXYLATE
ETHYL3(1HBENZIMIDAZOL2YLSULFANYL)55DIMETHYL2OXOOXOLANE3CARBOXYLATE
ethyl3(1Hbenzimidazol2ylsulfanyl)55dimethyl2oxotetrahydrofuran3carboxylate
InChI=1SC16H18N2O4Sc142112(19)16(915(23)2213(16)20)23141710756811(10)1814h58H49H213H3(H1718)
MFCD05259646
ZINC000001424006
ZINC000001424007
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