Vitas-M small molecule compound
ethyl (2E)-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}[2-(3-nitrophenyl)hydrazinylidene]ethanoate
Catalog ID
STK535159
SMILES CCOC(=O)/C(=N\Nc1cccc(c1)[N+](=O)[O-])/Sc1nnnn1c1ccc(cc1)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 C18H17N7O4S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O4S/c1-3-29-17(26)16(20-19-13-5-4-6-15(11-13)25(27)28)30-18-21-22-23-24(18)14-9-7-12(2)8-10-14/h4-11,19H,3H2,1-2H3/b20-16+InChIKey
CCFKVYISYYVDKQ-CAPFRKAQSA-NSynonyms
(E)ethyl2(2(3nitrophenyl)hydrazono)2((1(ptolyl)1Htetrazol5yl)thio)acetate
CCOC(=O)C(=NNC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=NN2C3=CC=C(C=C3)C
CCOC(=O)C(=NNc1cccc(c1)(N+)(=O)(O))Sc1nnnn1c1ccc(cc1)C
ethyl(2E)((1(4methylphenyl)1Htetrazol5yl)sulfanyl)(2(3nitrophenyl)hydrazinylidene)ethanoate
ETHYL(2E)2(1(4METHYLPHENYL)TETRAZOL5YL)SULFANYL2((3NITROPHENYL)HYDRAZINYLIDENE)ACETATE
InChI=1SC18H17N7O4Sc132917(26)16(20191354615(1113)25(27)28)301821222324(18)149712(2)81014h41119H3H212H3b2016+
MFCD02019156
ZINC000008995648
ZINC33352355
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