Vitas-M small molecule compound
ethyl 2-{[(4-methyl-3-nitrophenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL222716
SMILES CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])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 C18H20N2O6S2 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6S2/c1-3-26-18(21)16-13-6-4-5-7-15(13)27-17(16)19-28(24,25)12-9-8-11(2)14(10-12)20(22)23/h8-10,19H,3-7H2,1-2H3InChIKey
TWJFSYZRKYLQGM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O)
CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C
ethyl2(((4methyl3nitrophenyl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4methyl3nitrophenyl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H20N2O6S2c132618(21)1613645715(13)2717(16)1928(2425)129811(2)14(1012)20(22)23h81019H37H212H3
MFCD02106842
ZINC000014165758
ZINC14165758
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