Vitas-M small molecule compound

methyl 4-({3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl}carbamoyl)benzoate

Catalog ID
STL068173
SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)NCC1CCCO1

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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-27-21(26)15-9-7-14(8-10-15)20(25)23-17-5-2-4-16(12-17)19(24)22-13-18-6-3-11-28-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,24)(H,23,25)
InChIKey
ZDIUOOLWMKZINR-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3
InChI=1SC21H22N2O5c12721(26)159714(81015)20(25)231752416(1217)19(24)22131863112818h2457101218H361113H21H3(H2224)(H2325)
METHYL4((3(((TETRAHYDRO2FURANYLMETHYL)AMINO)CARBONYL)ANILINO)CARBONYL)BENZOATE
methyl4((3((tetrahydrofuran2ylmethyl)carbamoyl)phenyl)carbamoyl)benzoate
methyl4((3(oxolan2ylmethylcarbamoyl)phenyl)carbamoyl)benzoate
MFCD09441942
ZINC000012406078
ZINC000012406079

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Available files

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