Vitas-M small molecule compound

methyl O-benzyl-N-(tert-butoxycarbonyl)seryl-O-benzyltyrosylglycylthreoninate

Catalog ID
STK368830
SMILES COC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)COCc1ccccc1)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 C38H48N4O10 MW 720.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O10/c1-25(43)33(36(47)49-5)42-32(44)21-39-34(45)30(20-26-16-18-29(19-17-26)51-23-28-14-10-7-11-15-28)40-35(46)31(41-37(48)52-38(2,3)4)24-50-22-27-12-8-6-9-13-27/h6-19,25,30-31,33,43H,20-24H2,1-5H3,(H,39,45)(H,40,46)(H,41,48)(H,42,44)
InChIKey
XGIYRSDOWKIVMX-UHFFFAOYSA-N
Synonyms

CC(C(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O
InChI=1SC38H48N4O10c125(43)33(36(47)495)4232(44)213934(45)30(2026161829(191726)51232814107111528)4035(46)31(4137(48)5238(23)4)24502227128691327h6192530313343H2024H215H3(H3945)(H4046)(H4148)(H4244)
METHYL2(2(2(2((TERTBUTOXY)CARBONYLAMINO)3(PHENYLMETHOXY)PROPANOYLAMINO)3(4(PHENYLMETHOXY)PHENYL)PROPANOYLAMINO)ACETYLAMINO)3HYDROXYBUTANOATE
METHYL3HYDROXY2((2((2((2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)3PHENYLMETHOXYPROPANOYL)AMINO)3(4PHENYLMETHOXYPHENYL)PROPANOYL)AMINO)ACETYL)AMINO)BUTANOATE
methylObenzylN(tertbutoxycarbonyl)serylObenzyltyrosylglycylthreoninate
MFCD00301734
ZINC000150662606
ZINC000239433132

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Available files

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