Vitas-M small molecule compound
5-{[(4-bromo-1-hydroxynaphthalen-2-yl)carbonyl](octadecyl)amino}benzene-1,3-dicarboxylic acid
Catalog ID
STK366296
SMILES CCCCCCCCCCCCCCCCCCN(C(=O)c1cc(Br)c2c(c1O)cccc2)c1cc(cc(c1)C(=O)O)C(=O)O
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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 C37H48BrNO6 MW 682.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H48BrNO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-39(29-24-27(36(42)43)23-28(25-29)37(44)45)35(41)32-26-33(38)30-20-17-18-21-31(30)34(32)40/h17-18,20-21,23-26,40H,2-16,19,22H2,1H3,(H,42,43)(H,44,45)InChIKey
BWFPPIJUUNGFFU-UHFFFAOYSA-NSynonyms
5(((4bromo1hydroxynaphthalen2yl)carbonyl)(octadecyl)amino)benzene13dicarboxylicacid
5((4BROMO1HYDROXY(2NAPHTHYL))NOCTADECYLCARBONYLAMINO)BENZENE13DICARBOXYLICACID
5((4BROMO1HYDROXYNAPHTHALENE2CARBONYL)OCTADECYLAMINO)BENZENE13DICARBOXYLICACID
CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)Br)O
InChI=1SC37H48BrNO6c12345678910111213141516192239(292427(36(42)43)2328(2529)37(44)45)35(41)322633(38)302017182131(30)34(32)40h17182021232640H2161922H21H3(H4243)(H4445)
MFCD00308310
ZINC000150390420
ZINC150390420
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