Vitas-M small molecule compound
ethyl (5Z)-5-[(dimethylamino)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK092392
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\N(C)C)/C1=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 C16H17N3O5S MW 363.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S/c1-4-24-16(21)13-14(20)12(9-18(2)3)25-15(13)17-10-5-7-11(8-6-10)19(22)23/h5-9,17H,4H2,1-3H3/b12-9-InChIKey
DMSIIFIHBRVRGG-XFXZXTDPSA-NSynonyms
297159-93-4297159934
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=CN(C)C)C1=O
CCOC(=O)C1=C(SC(=CN(C)C)C1=O)NC2=CC=C(C=C2)(N+)(=O)(O)
ETHYL(5Z)5((DIMETHYLAMINO)METHYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(DIMETHYLAMINOMETHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((DIMETHYLAMINO)METHYLENE)2(4NITROANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC16H17N3O5Sc142416(21)1314(20)12(918(2)3)2515(13)17105711(8610)19(22)23h5917H4H213H3b129
MFCD02052798
STK092392
ZINC000003902506
ZINC03902506
ZINC3902506
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