Vitas-M small molecule compound

3,3'-methanediylbis(6-{[(4-tert-butylphenoxy)acetyl]amino}benzoic acid)

Catalog ID
STK028834
SMILES O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)COc1ccc(cc1)C(C)(C)C)COc1ccc(cc1)C(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 C39H42N2O8 MW 666.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H42N2O8/c1-38(2,3)26-9-13-28(14-10-26)48-22-34(42)40-32-17-7-24(20-30(32)36(44)45)19-25-8-18-33(31(21-25)37(46)47)41-35(43)23-49-29-15-11-27(12-16-29)39(4,5)6/h7-18,20-21H,19,22-23H2,1-6H3,(H,40,42)(H,41,43)(H,44,45)(H,46,47)
InChIKey
CIBOKTXTMNQKAV-UHFFFAOYSA-N
Synonyms

2((2(4TERTBUTYLPHENOXY)ACETYL)AMINO)5((4((2(4TERTBUTYLPHENOXY)ACETYL)AMINO)3CARBOXYPHENYL)METHYL)BENZOICACID
33METHANEDIYLBIS(6(((4TERTBUTYLPHENOXY)ACETYL)AMINO)BENZOICACID)
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)C(=O)O)C(=O)O
InChI=1SC39H42N2O8c138(23)2691328(141026)482234(42)403217724(2030(32)36(44)45)192581833(31(2125)37(46)47)4135(43)234929151127(121629)39(45)6h7182021H192223H216H3(H4042)(H4143)(H4445)(H4647)
MFCD01811255
O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)COc1ccc(cc1)C(C)(C)C)COc1ccc(cc1)C(C)(C)C
STK028834
ZINC000098023068
ZINC98023068

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Available files

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