Vitas-M small molecule compound
methyl 6-methyl-2-{[(3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK375481
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)[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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-10-6-7-13-14(8-10)26-17(15(13)18(22)25-2)19-16(21)11-4-3-5-12(9-11)20(23)24/h3-5,9-10H,6-8H2,1-2H3,(H,19,21)InChIKey
LYVSOLGZQKZYRX-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc2c1CCC(C2)C
InChI=1SC18H18N2O5Sc110671314(810)2617(15(13)18(22)252)1916(21)1143512(911)20(23)24h35910H68H212H3(H1921)
methyl6methyl2(((3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01342174
ZINC000001934720
ZINC000001934721
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