Vitas-M small molecule compound
ethyl 2-{[N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL222828
SMILES CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cc(ccc2C)[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 C21H25N3O7S2 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O7S2/c1-4-31-21(26)19-15-7-5-6-8-17(15)32-20(19)22-18(25)12-23(33(3,29)30)16-11-14(24(27)28)10-9-13(16)2/h9-11H,4-8,12H2,1-3H3,(H,22,25)InChIKey
OUPXUYNAGCVVKE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=C(C=CC(=C3)(N+)(=O)(O))C)S(=O)(=O)C
CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cc(ccc2C)(N+)(=O)(O))sc2c1CCCC2
ethyl2((2(2methylNmethylsulfonyl5nitroanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N(2methyl5nitrophenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H25N3O7S2c143121(26)1915756817(15)3220(19)2218(25)1223(33(329)30)161114(24(27)28)10913(16)2h911H4812H213H3(H2225)
MFCD05817764
ZINC000002845152
ZINC02845152
ZINC2845152
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