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Vitas-M small molecule compound

methyl N~6~-[(benzyloxy)carbonyl]-N~2~-(tert-butoxycarbonyl)lysylalanylphenylalanylphenylalaninate

Catalog ID
STK368814
SMILES COC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CCCCNC(=O)OCc1ccccc1)C)Cc1ccccc1)Cc1ccccc1

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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 C41H53N5O9 MW 759.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H53N5O9/c1-28(35(47)44-33(25-29-17-9-6-10-18-29)37(49)45-34(38(50)53-5)26-30-19-11-7-12-20-30)43-36(48)32(46-40(52)55-41(2,3)4)23-15-16-24-42-39(51)54-27-31-21-13-8-14-22-31/h6-14,17-22,28,32-34H,15-16,23-27H2,1-5H3,(H,42,51)(H,43,48)(H,44,47)
InChIKey
NSRDBQKKRWCZHJ-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI=1SC41H53N5O9c128(35(47)4433(25291796101829)37(49)4534(38(50)535)263019117122030)4336(48)32(4640(52)5541(23)4)231516244239(51)54273121138142231h6141722283234H15162327H215H3(H4251)(H4348)(H4447)(H4549)(H4652)
METHYL2((2(2((2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)6(PHENYLMETHOXYCARBONYLAMINO)HEXANOYL)AMINO)PROPANOYLAMINO)3PHENYLPROPANOYL)AMINO)3PHENYLPROPANOATE
METHYL2(2(2(2((TERTBUTOXY)CARBONYLAMINO)6((PHENYLMETHOXY)CARBONYLAMINO)HEXANOYLAMINO)PROPANOYLAMINO)3PHENYLPROPANOYLAMINO)3PHENYLPROPANOATE
methylN~6~((benzyloxy)carbonyl)N~2~(tertbutoxycarbonyl)lysylalanylphenylalanylphenylalaninate
METHYLN6((BENZYLOXY)CARBONYL)N2(TERTBUTOXYCARBONYL)LYSYLALANYLPHENYLALANYLPHENYLALANINATE
MFCD00301716
ZINC000150390999
ZINC000239165229

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Available files

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