Vitas-M small molecule compound
ethyl 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK346036
SMILES CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCCC2
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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 C15H17N5O5S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O5S/c1-2-25-14(22)12-9-5-3-4-6-10(9)26-13(12)17-11(21)7-19-8-16-15(18-19)20(23)24/h8H,2-7H2,1H3,(H,17,21)InChIKey
LYXRVVHEUBTXBA-UHFFFAOYSA-NSynonyms
354155-20-7354155207
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cn2cnc(n2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((3nitro1H124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(3nitro124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(3nitro1H124triazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC15H17N5O5Sc122514(22)129534610(9)2613(12)1711(21)71981615(1819)20(23)24h8H27H21H3(H1721)
MFCD01080885
ZINC000001779809
ZINC01779809
ZINC1779809
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