Vitas-M small molecule compound
ethyl 2-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-5-oxotetrahydrofuran-2-carboxylate
Catalog ID
STL351298
SMILES CCOC(=O)C1(CCC(=O)O1)C(=O)CSc1nc2c([nH]1)cccc2
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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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-2-22-14(21)16(8-7-13(20)23-16)12(19)9-24-15-17-10-5-3-4-6-11(10)18-15/h3-6H,2,7-9H2,1H3,(H,17,18)InChIKey
AIPWGRFDJKTNAJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1(CCC(=O)O1)C(=O)CSc1nc2c((nH)1)cccc2
CCOC(=O)C1(CCC(=O)O1)C(=O)CSc1nc2c((nH)1)cccc2Br
CCOC(=O)C1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3N2
ethyl2((1Hbenzimidazol2ylsulfanyl)acetyl)5oxotetrahydrofuran2carboxylate
ethyl2(2((1Hbenzo(d)imidazol2yl)thio)acetyl)5oxotetrahydrofuran2carboxylatehydrobromide
ethyl2(2(1Hbenzimidazol2ylsulfanyl)acetyl)5oxooxolane2carboxylate
InChI=1SC16H16N2O5Sc122214(21)16(8713(20)2316)12(19)924151710534611(10)1815h36H279H21H3(H1718)
MFCD12199971
ZINC000012322576
ZINC000012322577
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