Vitas-M small molecule compound
4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Catalog ID
STK017279
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nnc(s1)CC
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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 C13H14N4O4S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4S/c1-3-11-15-16-13(22-11)14-12(18)8-5-6-10(21-4-2)9(7-8)17(19)20/h5-7H,3-4H2,1-2H3,(H,14,16,18)InChIKey
KLWKYHFXERAJMP-UHFFFAOYSA-NSynonyms
4ETHOXYN(5ETHYL134THIADIAZOL2YL)3NITROBENZAMIDE
CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1nnc(s1)CC
InChI=1SC13H14N4O4Sc1311151613(2211)1412(18)85610(2142)9(78)17(19)20h57H34H212H3(H141618)
MFCD02219836
STK017279
ZINC000000449909
ZINC00449909
ZINC449909
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