Vitas-M small molecule compound

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

Catalog ID
STK179999
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)Cl)OC)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 C22H24ClN3O5 MW 445.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O5/c1-14(27)25-8-10-26(11-9-25)19-6-4-16(22(29)31-3)13-18(19)24-21(28)15-5-7-20(30-2)17(23)12-15/h4-7,12-13H,8-11H2,1-3H3,(H,24,28)
InChIKey
XDJMAYFQXXHCIY-UHFFFAOYSA-N
Synonyms

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)Cl
InChI=1SC22H24ClN3O5c114(27)2581026(11925)196416(22(29)313)1318(19)2421(28)155720(302)17(23)1215h471213H811H213H3(H2428)
METHYL4(4ACETYL1PIPERAZINYL)3((3CHLORO4METHOXYBENZOYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3(((3CHLORO4METHOXYPHENYL)CARBONYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3((3CHLORO4METHOXYBENZOYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZINYL)3((3CHLORO4METHOXYPHENYL)CARBONYLAMINO)BENZOATE
MFCD06664239
ZINC000006073654
ZINC06073654
ZINC6073654

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Available files

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