Vitas-M small molecule compound
N-[(2-butyl-2H-tetrazol-5-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK355285
SMILES CCCCn1nnc(n1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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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 C15H19N7O4S MW 393.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N7O4S/c1-3-5-8-21-19-14(18-20-21)17-15(27)16-13(23)10-6-7-12(26-4-2)11(9-10)22(24)25/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,19,23,27)InChIKey
LQKDXIOCJSHVDE-UHFFFAOYSA-NSynonyms
CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCCCn1nnc(n1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC15H19N7O4Sc1358211914(182021)1715(27)1613(23)106712(2642)11(910)22(24)25h679H358H212H3(H21617192327)
MFCD05810320
N((2butyl2Htetrazol5yl)carbamothioyl)4ethoxy3nitrobenzamide
N((2BUTYLTETRAZOL5YL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
ZINC000015919288
ZINC15919288
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