Vitas-M small molecule compound

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

Catalog ID
STK179980
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)Cl)C)N1CCN(CC1)C(=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 C22H24ClN3O4 MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O4/c1-14-4-5-16(12-18(14)23)21(28)24-19-13-17(22(29)30-3)6-7-20(19)26-10-8-25(9-11-26)15(2)27/h4-7,12-13H,8-11H2,1-3H3,(H,24,28)
InChIKey
CMSOXDPKUVXIJD-UHFFFAOYSA-N
Synonyms
765934-57-4
765934574
CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl
InChI=1SC22H24ClN3O4c1144516(1218(14)23)21(28)24191317(22(29)303)6720(19)2610825(91126)15(2)27h471213H811H213H3(H2428)
METHYL4(4ACETYLPIPERAZIN1YL)3(((3CHLORO4METHYLPHENYL)CARBONYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3((3CHLORO4METHYLBENZOYL)AMINO)BENZOATE
methyl4(4acetylpiperazin1yl)3(3chloro4methylbenzamido)benzoate
METHYL4(4ACETYLPIPERAZINYL)3((3CHLORO4METHYLPHENYL)CARBONYLAMINO)BENZOATE
MFCD06664220
ZINC000006280484
ZINC06280484
ZINC6280484

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Available files

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