Vitas-M small molecule compound
3-({(2E)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl}amino)benzoic acid
Catalog ID
STL383461
SMILES N#C/C(=C\c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)Nc1cccc(c1)C(=O)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 C23H14N4O8 MW 474.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N4O8/c24-13-16(22(28)25-17-3-1-2-15(11-17)23(29)30)10-14-4-7-19(8-5-14)35-21-9-6-18(26(31)32)12-20(21)27(33)34/h1-12H,(H,25,28)(H,29,30)/b16-10+InChIKey
TZWVAUDIDANCPL-MHWRWJLKSA-NSynonyms
3(((2E)2cyano3(4(24dinitrophenoxy)phenyl)prop2enoyl)amino)benzoicacid
3(((E)2cyano3(4(24dinitrophenoxy)phenyl)prop2enoyl)amino)benzoicacid
C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C#N)C(=O)O
InChI=1SC23H14N4O8c241316(22(28)251731215(1117)23(29)30)10144719(8514)35219618(26(31)32)1220(21)27(33)34h112H(H2528)(H2930)b1610+
MFCD03217477
N#CC(=Cc1ccc(cc1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=O)Nc1cccc(c1)C(=O)O
ZINC000033516447
ZINC33516447
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