Vitas-M small molecule compound

methyl N-(tert-butoxycarbonyl)valyl-O-{[(tert-butoxycarbonyl)amino]acetyl}tyrosylvalinate

Catalog ID
STK366781
SMILES COC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)Cc1ccc(cc1)OC(=O)CNC(=O)OC(C)(C)C

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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 C32H50N4O10 MW 650.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H50N4O10/c1-18(2)24(36-30(42)46-32(8,9)10)27(39)34-22(26(38)35-25(19(3)4)28(40)43-11)16-20-12-14-21(15-13-20)44-23(37)17-33-29(41)45-31(5,6)7/h12-15,18-19,22,24-25H,16-17H2,1-11H3,(H,33,41)(H,34,39)(H,35,38)(H,36,42)
InChIKey
IEUAHCFIAIJRCW-UHFFFAOYSA-N
Synonyms

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)OC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C(=O)OC)NC(=O)OC(C)(C)C
InChI=1SC32H50N4O10c118(2)24(3630(42)4632(89)10)27(39)3422(26(38)3525(19(3)4)28(40)4311)1620121421(151320)4423(37)173329(41)4531(56)7h12151819222425H1617H2111H3(H3341)(H3439)(H3538)(H3642)
METHYL2(3(4(2((TERTBUTOXY)CARBONYLAMINO)ACETYLOXY)PHENYL)2(2((TERTBUTOXY)CARBONYLAMINO)3METHYLBUTANOYLAMINO)PROPANOYLAMINO)3METHYLBUTANOATE
METHYL3METHYL2((2((3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)BUTANOYL)AMINO)3(4(2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)ACETYL)OXYPHENYL)PROPANOYL)AMINO)BUTANOATE
methylN(tertbutoxycarbonyl)valylO(((tertbutoxycarbonyl)amino)acetyl)tyrosylvalinate
MFCD00308503
ZINC000150662345
ZINC000226861256

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Available files

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