Vitas-M small molecule compound
ethyl (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158458
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(o2)[N+](=O)[O-])/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 C18H14N2O6S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6S/c1-2-25-18(22)15-16(21)13(10-12-8-9-14(26-12)20(23)24)27-17(15)19-11-6-4-3-5-7-11/h3-10,19H,2H2,1H3/b13-10-InChIKey
KPRWOLYDOKNDGG-RAXLEYEMSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(o2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)(N+)(=O)(O))C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((5NITROFURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((5NITROFURAN2YL)METHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC18H14N2O6Sc122518(22)1516(21)13(10128914(2612)20(23)24)2717(15)19116435711h31019H2H21H3b1310
MFCD03711256
ZINC000004688356
ZINC04688356
ZINC4688356
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