Vitas-M small molecule compound

ethyl (2E)-2-cyano-3-(4-{[(2,4-dinitrophenyl)carbonyl]amino}phenyl)-3-hydroxyprop-2-enoate

Catalog ID
STK332470
SMILES CCOC(=O)/C(=C(\c1ccc(cc1)NC(=O)c1ccc(cc1N(=O)=O)N(=O)=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 C19H14N4O8 MW 426.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O8/c1-2-31-19(26)15(10-20)17(24)11-3-5-12(6-4-11)21-18(25)14-8-7-13(22(27)28)9-16(14)23(29)30/h3-9,24H,2H2,1H3,(H,21,25)/b17-15+
InChIKey
FOSRGFGKNRDKHO-BMRADRMJSA-N
Synonyms

CCOC(=O)C(=C(C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))O)C#N
CCOC(=O)C(=C(c1ccc(cc1)NC(=O)c1ccc(cc1N(=O)=O)N(=O)=O)O)C#N
ethyl(2E)2cyano3(4(((24dinitrophenyl)carbonyl)amino)phenyl)3hydroxyprop2enoate
ethyl(E)2cyano3(4((24dinitrobenzoyl)amino)phenyl)3hydroxyprop2enoate
InChI=1SC19H14N4O8c123119(26)15(1020)17(24)113512(6411)2118(25)148713(22(27)28)916(14)23(29)30h3924H2H21H3(H2125)b1715+
MFCD09962736
ZINC000102042979
ZINC102042979

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Available files

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