Vitas-M small molecule compound

N,N'-bis(4-{2,4-bis[(2-methylbutan-2-yl)oxy]phenyl}butyl)benzene-1,4-dicarboxamide

Catalog ID
STK428505
SMILES CCC(Oc1cc(ccc1CCCCNC(=O)c1ccc(cc1)C(=O)NCCCCc1ccc(cc1OC(CC)(C)C)OC(CC)(C)C)OC(CC)(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 C48H72N2O6 MW 773.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H72N2O6/c1-13-45(5,6)53-39-29-27-35(41(33-39)55-47(9,10)15-3)21-17-19-31-49-43(51)37-23-25-38(26-24-37)44(52)50-32-20-18-22-36-28-30-40(54-46(7,8)14-2)34-42(36)56-48(11,12)16-4/h23-30,33-34H,13-22,31-32H2,1-12H3,(H,49,51)(H,50,52)
InChIKey
VTRCEFDYROKSGW-UHFFFAOYSA-N
Synonyms

1N4NBIS(4(24BIS(2METHYLBUTAN2YLOXY)PHENYL)BUTYL)BENZENE14DICARBOXAMIDE
CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=C(C=C(C=C3)OC(C)(C)CC)OC(C)(C)CC)OC(C)(C)CC
InChI=1SC48H72N2O6c11345(56)5339292735(41(3339)5547(910)153)211719314943(51)37232538(262437)44(52)503220182236283040(5446(78)142)3442(36)5648(1112)164h23303334H13223132H2112H3(H4951)(H5052)
MFCD03234224
N(4(24BIS(11DIMETHYLPROPOXY)PHENYL)BUTYL)(4(N(4(24BIS(11DIMETHYLPROPOXY)PHENYL)BUTYL)CARBAMOYL)PHENYL)CARBOXAMIDE
NNbis(4(24bis((2methylbutan2yl)oxy)phenyl)butyl)benzene14dicarboxamide
ZINC000097949296
ZINC97949296

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Available files

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