Vitas-M small molecule compound
4-ethoxy-N-[(2-ethyl-2H-tetrazol-5-yl)carbamothioyl]-3-nitrobenzamide
Catalog ID
STK295467
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1nnn(n1)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 C13H15N7O4S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N7O4S/c1-3-19-17-12(16-18-19)15-13(25)14-11(21)8-5-6-10(24-4-2)9(7-8)20(22)23/h5-7H,3-4H2,1-2H3,(H2,14,15,17,21,25)InChIKey
QTNVMZADOJOSIO-UHFFFAOYSA-NSynonyms
4ethoxyN((2ethyl2Htetrazol5yl)carbamothioyl)3nitrobenzamide
4ETHOXYN((2ETHYLTETRAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1nnn(n1)CC
InChI=1SC13H15N7O4Sc13191712(161819)1513(25)1411(21)85610(2442)9(78)20(22)23h57H34H212H3(H21415172125)
MFCD06150436
ZINC000013954944
ZINC13954944
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