Vitas-M small molecule compound

methyl 3-{[(3-methylphenyl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate

Catalog ID
STK892272
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)C)N1CCN(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 C21H25N3O3 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3/c1-15-5-4-6-16(13-15)20(25)22-18-14-17(21(26)27-3)7-8-19(18)24-11-9-23(2)10-12-24/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
InChIKey
HUIHDIKAUPXEAN-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C
InChI=1SC21H25N3O3c11554616(1315)20(25)22181417(21(26)273)7819(18)2411923(2)101224h481314H912H213H3(H2225)
methyl3(((3methylphenyl)carbonyl)amino)4(4methylpiperazin1yl)benzoate
METHYL3((3METHYLBENZOYL)AMINO)4(4METHYL1PIPERAZINYL)BENZOATE
METHYL3((3METHYLBENZOYL)AMINO)4(4METHYLPIPERAZIN1YL)BENZOATE
MFCD08068487
ZINC000006701747
ZINC6701747

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Available files

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