Vitas-M small molecule compound

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

Catalog ID
STK892273
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)C)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 C22H27N3O3 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3/c1-15-5-6-17(13-16(15)2)21(26)23-19-14-18(22(27)28-4)7-8-20(19)25-11-9-24(3)10-12-25/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)
InChIKey
DSCBJJPGMYTABM-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C)C
InChI=1SC22H27N3O3c1155617(1316(15)2)21(26)23191418(22(27)284)7820(19)2511924(3)101225h581314H912H214H3(H2326)
methyl3(((34dimethylphenyl)carbonyl)amino)4(4methylpiperazin1yl)benzoate
METHYL3((34DIMETHYLBENZOYL)AMINO)4(4METHYL1PIPERAZINYL)BENZOATE
METHYL3((34DIMETHYLBENZOYL)AMINO)4(4METHYLPIPERAZIN1YL)BENZOATE
MFCD08712994
ZINC000006700819
ZINC6700819

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Available files

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