Vitas-M small molecule compound
5-amino-N'-{(E)-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide
Catalog ID
STL383079
SMILES COc1cc(/C=N/NC(=O)c2sc(c(c2C)C#N)N)c(cc1OCc1ccccc1)[N+](=O)[O-]
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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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c1-13-16(10-23)21(24)33-20(13)22(28)26-25-11-15-8-18(31-2)19(9-17(15)27(29)30)32-12-14-6-4-3-5-7-14/h3-9,11H,12,24H2,1-2H3,(H,26,28)/b25-11+InChIKey
IEEVPGYEIPMFHL-OPEKNORGSA-NSynonyms
5amino4cyanoN((E)(5methoxy2nitro4phenylmethoxyphenyl)methylideneamino)3methylthiophene2carboxamide
5aminoN((E)(4(benzyloxy)5methoxy2nitrophenyl)methylidene)4cyano3methylthiophene2carbohydrazide
CC1=C(SC(=C1C#N)N)C(=O)NN=CC2=CC(=C(C=C2(N+)(=O)(O))OCC3=CC=CC=C3)OC
COc1cc(C=NNC(=O)c2sc(c(c2C)C#N)N)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC22H19N5O5Sc11316(1023)21(24)3320(13)22(28)26251115818(312)19(917(15)27(29)30)3212146435714h3911H1224H212H3(H2628)b2511+
MFCD01839151
ZINC000027497240
ZINC27497235
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