Vitas-M small molecule compound

methyl 2-{[(2-{[4-(cyclopentyloxy)phenyl]carbonyl}hydrazinyl)carbonyl]amino}benzoate

Catalog ID
STK459837
SMILES COC(=O)c1ccccc1NC(=O)NNC(=O)c1ccc(cc1)OC1CCCC1

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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 C21H23N3O5 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5/c1-28-20(26)17-8-4-5-9-18(17)22-21(27)24-23-19(25)14-10-12-16(13-11-14)29-15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,25)(H2,22,24,27)
InChIKey
WIRXUTMVWCHMBM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)NNC(=O)C2=CC=C(C=C2)OC3CCCC3
InChI=1SC21H23N3O5c12820(26)17845918(17)2221(27)242319(25)14101216(131114)2915623715h4581315H2367H21H3(H2325)(H2222427)
METHYL2((((4CYCLOPENTYLOXYPHENYL)CARBONYLAMINO)AMINO)CARBONYLAMINO)BENZOATE
methyl2(((2((4(cyclopentyloxy)phenyl)carbonyl)hydrazinyl)carbonyl)amino)benzoate
METHYL2(((4CYCLOPENTYLOXYBENZOYL)AMINO)CARBAMOYLAMINO)BENZOATE
MFCD05988778
ZINC000005060155
ZINC05060155
ZINC5060155

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Available files

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