Vitas-M small molecule compound

N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide}

Catalog ID
STK077737
SMILES O=C(Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)COc1cc(C)ccc1C(C)C)COc1cc(C)ccc1C(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 C38H44N2O4 MW 592.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N2O4/c1-23(2)31-13-9-25(5)17-35(31)43-21-37(41)39-33-15-11-29(19-27(33)7)30-12-16-34(28(8)20-30)40-38(42)22-44-36-18-26(6)10-14-32(36)24(3)4/h9-20,23-24H,21-22H2,1-8H3,(H,39,41)(H,40,42)
InChIKey
SHBBDBSJJXTEJC-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)COC4=C(C=CC(=C4)C)C(C)C)C)C
InChI=1SC38H44N2O4c123(2)3113925(5)1735(31)432137(41)3933151129(1927(33)7)30121634(28(8)2030)4038(42)2244361826(6)101432(36)24(3)4h9202324H2122H218H3(H3941)(H4042)
MFCD03168276
N(2METHYL4(3METHYL4((2(5METHYL2PROPAN2YLPHENOXY)ACETYL)AMINO)PHENYL)PHENYL)2(5METHYL2PROPAN2YLPHENOXY)ACETAMIDE
NN(33DIMETHYLBIPHENYL44DIYL)BIS(2(5METHYL2(PROPAN2YL)PHENOXY)ACETAMIDE)
O=C(Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)COc1cc(C)ccc1C(C)C)COc1cc(C)ccc1C(C)C
STK077737
ZINC000097940343
ZINC97940343

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Available files

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