Vitas-M small molecule compound

(2Z)-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)-3-(3-nitrophenyl)prop-2-enoic acid

Catalog ID
STL326116
SMILES CC(COc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)O)C

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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 C20H20N2O6 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6/c1-13(2)12-28-17-8-6-15(7-9-17)19(23)21-18(20(24)25)11-14-4-3-5-16(10-14)22(26)27/h3-11,13H,12H2,1-2H3,(H,21,23)(H,24,25)/b18-11-
InChIKey
FFYWPJOLJWMFKQ-WQRHYEAKSA-N
Synonyms
337348-12-6
(2Z)2(((4(2methylpropoxy)phenyl)carbonyl)amino)3(3nitrophenyl)prop2enoicacid
(Z)2((4(2METHYLPROPOXY)BENZOYL)AMINO)3(3NITROPHENYL)PROP2ENOICACID
(Z)2(4isobutoxybenzamido)3(3nitrophenyl)acrylicacid
(Z)2(4ISOBUTOXYBENZOYLAMINO)3(3NITROPHENYL)ACRYLICACID
337348126
CC(C)COC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)O
CC(COc1ccc(cc1)C(=O)NC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)O)C
InChI=1SC20H20N2O6c113(2)1228178615(7917)19(23)2118(20(24)25)111443516(1014)22(26)27h31113H12H212H3(H2123)(H2425)b1811
MFCD01877379
ZINC000004837485
ZINC4837485

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Available files

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