Vitas-M small molecule compound
4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK096536
SMILES CCCCCCC(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)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 C29H36N4O2 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O2/c1-6-7-8-15-20-25(26-21(2)30(4)32(28(26)34)23-16-11-9-12-17-23)27-22(3)31(5)33(29(27)35)24-18-13-10-14-19-24/h9-14,16-19,25H,6-8,15,20H2,1-5H3InChIKey
IJHHLFPNBGOUAS-UHFFFAOYSA-NSynonyms
7660-44-84(1(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)HEPTYL)15DIMETHYL2PHENYLPYRAZOL3ONE
44(heptane11diyl)bis(15dimethyl2phenyl1Hpyrazol3(2H)one)
44HEPTANE11DIYLBIS(15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE)
7660448
CCCCCCC(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
CCCCCCC(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC29H36N4O2c1678152025(2621(2)30(4)32(28(26)34)2316119121723)2722(3)31(5)33(29(27)35)24181310141924h914161925H681520H215H3
MFCD00327668
STK096536
ZINC000002255695
ZINC02255695
ZINC2255695
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