Vitas-M small molecule compound
ethyl 4-(5-{(1E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STL383587
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C#N
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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 C23H17N3O6 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6/c1-2-31-23(28)16-5-3-15(4-6-16)21-12-11-20(32-21)13-17(14-24)22(27)25-18-7-9-19(10-8-18)26(29)30/h3-13H,2H2,1H3,(H,25,27)/b17-13+InChIKey
ULKHKRXGOAHJGM-GHRIWEEISA-NSynonyms
4(5(2CYANO2(4NITROPHENYLCARBAMOYL)VINYL)FURAN2YL)BENZOICACIDETHYL
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1ccc(cc1)(N+)(=O)(O))C#N
ETHYL4(5((1E)2CYANO2(N(4NITROPHENYL)CARBAMOYL)VINYL)2FURYL)BENZOATE
ethyl4(5((1E)2cyano3((4nitrophenyl)amino)3oxoprop1en1yl)furan2yl)benzoate
ETHYL4(5((E)2CYANO3(4NITROANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC23H17N3O6c123123(28)165315(4616)21121120(3221)1317(1424)22(27)25187919(10818)26(29)30h313H2H21H3(H2527)b1713+
MFCD02225173
ZINC000013388036
ZINC13388036
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