Vitas-M small molecule compound
methyl 6-methyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL329752
SMILES COC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)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 C15H17N5O5S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O5S/c1-8-3-4-9-10(5-8)26-13(12(9)14(22)25-2)17-11(21)6-19-7-16-15(18-19)20(23)24/h7-8H,3-6H2,1-2H3,(H,17,21)InChIKey
MLOCEOZOCMJPTA-UHFFFAOYSA-NSynonyms
313248-78-1313248781
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C=NC(=N3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2cnc(n2)(N+)(=O)(O))sc2c1CCC(C2)C
InChI=1SC15H17N5O5Sc1834910(58)2613(12(9)14(22)252)1711(21)61971615(1819)20(23)24h78H36H212H3(H1721)
methyl6methyl2(((3nitro1H124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((2(3nitro124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(2(3nitro1H124triazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01244376
ZINC000002092662
ZINC000002092664
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