Vitas-M small molecule compound
methyl 3-{[(2,3-dimethylphenoxy)acetyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK188930
SMILES COC(=O)c1ccc(c(c1)NC(=O)COc1cccc(c1C)C)N1CCN(CC1)C(=O)c1ccccc1
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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 C29H31N3O5 MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5/c1-20-8-7-11-26(21(20)2)37-19-27(33)30-24-18-23(29(35)36-3)12-13-25(24)31-14-16-32(17-15-31)28(34)22-9-5-4-6-10-22/h4-13,18H,14-17,19H2,1-3H3,(H,30,33)InChIKey
BKCGEZHGCKVKRX-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)C
InChI=1SC29H31N3O5c120871126(21(20)2)371927(33)30241823(29(35)363)121325(24)31141632(171531)28(34)2295461022h41318H141719H213H3(H3033)
METHYL3(((23DIMETHYLPHENOXY)ACETYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
methyl4(4benzoylpiperazin1yl)3((2(23dimethylphenoxy)acetyl)amino)benzoate
MFCD06665023
ZINC000009907902
ZINC09907902
ZINC9907902
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