Vitas-M small molecule compound

methyl 4-(4-acetylpiperazin-1-yl)-3-({[5-(3-chlorophenyl)furan-2-yl]carbonyl}amino)benzoate

Catalog ID
STK183520
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(o1)c1cccc(c1)Cl)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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c1-16(30)28-10-12-29(13-11-28)21-7-6-18(25(32)33-2)15-20(21)27-24(31)23-9-8-22(34-23)17-4-3-5-19(26)14-17/h3-9,14-15H,10-13H2,1-2H3,(H,27,31)
InChIKey
ZESGSSDYFCTPBV-UHFFFAOYSA-N
Synonyms

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl
InChI=1SC25H24ClN3O5c116(30)28101229(131128)217618(25(32)332)1520(21)2724(31)239822(3423)1743519(26)1417h391415H1013H212H3(H2731)
METHYL4(4ACETYL1PIPERAZINYL)3((5(3CHLOROPHENYL)2FUROYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3(((5(3CHLOROPHENYL)FURAN2YL)CARBONYL)AMINO)BENZOATE
METHYL4(4ACETYLPIPERAZIN1YL)3((5(3CHLOROPHENYL)FURAN2CARBONYL)AMINO)BENZOATE
MFCD06664407
ZINC000009906170
ZINC09906170
ZINC9906170

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Available files

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