Vitas-M small molecule compound

methyl N-[(benzyloxy)carbonyl]phenylalanyl-O-benzyltyrosylthreoninate

Catalog ID
STK366785
SMILES COC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1

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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 C38H41N3O8 MW 667.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N3O8/c1-26(42)34(37(45)47-2)41-36(44)32(23-28-18-20-31(21-19-28)48-24-29-14-8-4-9-15-29)39-35(43)33(22-27-12-6-3-7-13-27)40-38(46)49-25-30-16-10-5-11-17-30/h3-21,26,32-34,42H,22-25H2,1-2H3,(H,39,43)(H,40,46)(H,41,44)
InChIKey
SVAISIFUGORCSO-UHFFFAOYSA-N
Synonyms

CC(C(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O
InChI=1SC38H41N3O8c126(42)34(37(45)472)4136(44)32(2328182031(211928)482429148491529)3935(43)33(2227126371327)4038(46)49253016105111730h32126323442H2225H212H3(H3943)(H4046)(H4144)
METHYL3HYDROXY2((3(4PHENYLMETHOXYPHENYL)2((3PHENYL2(PHENYLMETHOXYCARBONYLAMINO)PROPANOYL)AMINO)PROPANOYL)AMINO)BUTANOATE
METHYL3HYDROXY2(3(4(PHENYLMETHOXY)PHENYL)2(3PHENYL2((PHENYLMETHOXY)CARBONYLAMINO)PROPANOYLAMINO)PROPANOYLAMINO)BUTANOATE
methylN((benzyloxy)carbonyl)phenylalanylObenzyltyrosylthreoninate
MFCD00308506
ZINC000150662351
ZINC000239412542

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Available files

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