Vitas-M small molecule compound
ethyl (5Z)-5-(2,3-dimethoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK093096
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccc(c2OC)OC)/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 C22H20N2O7S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S/c1-4-31-22(26)18-19(25)17(12-13-6-5-7-16(29-2)20(13)30-3)32-21(18)23-14-8-10-15(11-9-14)24(27)28/h5-12,23H,4H2,1-3H3/b17-12-InChIKey
BVCWWEHZCRLFAV-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cccc(c2OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((23DIMETHOXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(23DIMETHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O7Sc143122(26)1819(25)17(121365716(292)20(13)303)3221(18)231481015(11914)24(27)28h51223H4H213H3b1712
MFCD08679718
STK093096
ZINC000009730796
ZINC09730796
ZINC9730796
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