Vitas-M small molecule compound

3,3'-methanediylbis[6-({[4-(propan-2-yl)phenoxy]acetyl}amino)benzoic acid]

Catalog ID
STK010623
SMILES O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)COc1ccc(cc1)C(C)C)COc1ccc(cc1)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 C37H38N2O8 MW 638.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38N2O8/c1-22(2)26-7-11-28(12-8-26)46-20-34(40)38-32-15-5-24(18-30(32)36(42)43)17-25-6-16-33(31(19-25)37(44)45)39-35(41)21-47-29-13-9-27(10-14-29)23(3)4/h5-16,18-19,22-23H,17,20-21H2,1-4H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)
InChIKey
FVNVRALQFFJRHI-UHFFFAOYSA-N
Synonyms

33METHANEDIYLBIS(6(((4(PROPAN2YL)PHENOXY)ACETYL)AMINO)BENZOICACID)
5((3CARBOXY4((2(4PROPAN2YLPHENOXY)ACETYL)AMINO)PHENYL)METHYL)2((2(4PROPAN2YLPHENOXY)ACETYL)AMINO)BENZOICACID
CC(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(=O)O)C(=O)O
InChI=1SC37H38N2O8c122(2)2671128(12826)462034(40)383215524(1830(32)36(42)43)172561633(31(1925)37(44)45)3935(41)21472913927(101429)23(3)4h51618192223H172021H214H3(H3840)(H3941)(H4243)(H4445)
MFCD01974199
O=C(Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)COc1ccc(cc1)C(C)C)COc1ccc(cc1)C(C)C
STK010623
ZINC000098042837
ZINC98042837

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Available files

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