Vitas-M small molecule compound

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

Catalog ID
STK189113
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(c(c1)Cl)OC)C(=O)OC

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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 C22H26ClN3O4 MW 431.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O4/c1-4-25-9-11-26(12-10-25)19-7-5-16(22(28)30-3)14-18(19)24-21(27)15-6-8-20(29-2)17(23)13-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,27)
InChIKey
XTYQQSSOXJEHHD-UHFFFAOYSA-N
Synonyms

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)Cl
InChI=1SC22H26ClN3O4c142591126(121025)197516(22(28)303)1418(19)2421(27)156820(292)17(23)1315h581314H4912H213H3(H2427)
METHYL3(((3CHLORO4METHOXYPHENYL)CARBONYL)AMINO)4(4ETHYLPIPERAZIN1YL)BENZOATE
METHYL3((3CHLORO4METHOXYBENZOYL)AMINO)4(4ETHYL1PIPERAZINYL)BENZOATE
methyl3((3chloro4methoxybenzoyl)amino)4(4ethylpiperazin1yl)benzoate
MFCD06665198
ZINC000009908001
ZINC9908001

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Available files

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