Vitas-M small molecule compound

methyl 4-[(E)-(2-{[(4-methylphenyl)amino]acetyl}hydrazinylidene)methyl]benzoate (non-preferred name)

Catalog ID
STK200095
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CNc1ccc(cc1)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 C18H19N3O3 MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3/c1-13-3-9-16(10-4-13)19-12-17(22)21-20-11-14-5-7-15(8-6-14)18(23)24-2/h3-11,19H,12H2,1-2H3,(H,21,22)/b20-11+
InChIKey
XJQCLSGNNFZFPB-RGVLZGJSSA-N
Synonyms

CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CNc1ccc(cc1)C
InChI=1SC18H19N3O3c1133916(10413)191217(22)212011145715(8614)18(23)242h31119H12H212H3(H2122)b2011+
METHYL4((E)((2(4METHYLANILINO)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2(((4methylphenyl)amino)acetyl)hydrazinylidene)methyl)benzoate(nonpreferredname)
MFCD00384162
ZINC000000223371
ZINC32603878

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.