Vitas-M small molecule compound

3-{[{(2E)-2-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}(oxo)acetyl]amino}benzoic acid

Catalog ID
STK646341
SMILES Cl/C(=C\c1ccc(cc1)[N+](=O)[O-])/C=N/NC(=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 C18H13ClN4O6 MW 416.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN4O6/c19-13(8-11-4-6-15(7-5-11)23(28)29)10-20-22-17(25)16(24)21-14-3-1-2-12(9-14)18(26)27/h1-10H,(H,21,24)(H,22,25)(H,26,27)/b13-8-,20-10+
InChIKey
HNDQQBITMJFFPU-UEKDOHQUSA-N
Synonyms
317842-02-7
3((((2E)2((2Z)2chloro3(4nitrophenyl)prop2en1ylidene)hydrazinyl)(oxo)acetyl)amino)benzoicacid
3(((Z)2CHLORO3(4NITROPHENYL)PROP2EN(E)YLIDENEHYDRAZINOOXALYL)AMINO)BENZOICACID
3((2((2E)2((Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)HYDRAZINYL)2OXOACETYL)AMINO)BENZOICACID
3(2((E)2((Z)2chloro3(4nitrophenyl)allylidene)hydrazinyl)2oxoacetamido)benzoicacid
317842027
C1=CC(=CC(=C1)NC(=O)C(=O)NN=CC(=CC2=CC=C(C=C2)(N+)(=O)(O))Cl)C(=O)O
ClC(=Cc1ccc(cc1)(N+)(=O)(O))C=NNC(=O)C(=O)Nc1cccc(c1)C(=O)O
InChI=1SC18H13ClN4O6c1913(8114615(7511)23(28)29)10202217(25)16(24)211431212(914)18(26)27h110H(H2124)(H2225)(H2627)b1382010+
MFCD00489450
ZINC000002333693
ZINC15979194

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Available files

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