Vitas-M small molecule compound

ethyl 4-({N-[(4-heptylcyclohexyl)carbonyl]methionyl}amino)benzoate

Catalog ID
STK212551
SMILES CCCCCCCC1CCC(CC1)C(=O)NC(C(=O)Nc1ccc(cc1)C(=O)OCC)CCSC

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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 C28H44N2O4S MW 504.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N2O4S/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)26(31)30-25(19-20-35-3)27(32)29-24-17-15-23(16-18-24)28(33)34-5-2/h15-18,21-22,25H,4-14,19-20H2,1-3H3,(H,29,32)(H,30,31)
InChIKey
MHMFAVPQWOZXMY-UHFFFAOYSA-N
Synonyms

CCCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)C(=O)OCC
ethyl4((2((4heptylcyclohexanecarbonyl)amino)4methylsulfanylbutanoyl)amino)benzoate
ETHYL4((N((4HEPTYLCYCLOHEXYL)CARBONYL)METHIONYL)AMINO)BENZOATE
InChI=1SC28H44N2O4Sc1467891021111322(141221)26(31)3025(1920353)27(32)2924171523(161824)28(33)3452h1518212225H4141920H213H3(H2932)(H3031)
MFCD08674006
ZINC000097995708
ZINC000097995709

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Available files

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