Vitas-M small molecule compound
dibenzyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK810474
SMILES CC1=C(C(=O)OCc2ccccc2)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1
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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 C40H35N3O6 MW 653.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H35N3O6/c1-26-35(39(44)48-24-28-12-6-3-7-13-28)37(36(27(2)41-26)40(45)49-25-29-14-8-4-9-15-29)32-23-43(31-16-10-5-11-17-31)42-38(32)30-18-19-33-34(22-30)47-21-20-46-33/h3-19,22-23,37,41H,20-21,24-25H2,1-2H3InChIKey
MSLUNJWOEPKOCV-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7
dibenzyl4(3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)26dimethyl14dihydropyridine35dicarboxylate
DIBENZYL4(3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)26DIMETHYL14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC40H35N3O6c12635(39(44)482428126371328)37(36(27(2)4126)40(45)492529148491529)322343(3116105111731)4238(32)3018193334(2230)4721204633h31922233741H20212425H212H3
MFCD04486490
ZINC000098047081
ZINC98047081
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