Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192449
SMILES COc1ccc(c(c1)OC)N1C(=O)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1C)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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-16-10-12-20(17(2)14-16)29-26(32)24-25-19-8-6-7-9-22(19)36-28(24,3)31(27(33)30-25)21-13-11-18(34-4)15-23(21)35-5/h6-15,24-25H,1-5H3,(H,29,32)(H,30,33)InChIKey
MOKLZKYPFSNRCU-UHFFFAOYSA-NSynonyms
3(24dimethoxyphenyl)N(24dimethylphenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC=CC=C4OC2(N(C(=O)N3)C5=C(C=C(C=C5)OC)OC)C)C
InChI=1SC28H29N3O5c116101220(17(2)1416)2926(32)242519867922(19)3628(243)31(27(33)3025)21131118(344)1523(21)355h6152425H15H3(H2932)(H3033)
MFCD22390689
ZINC000101353297
ZINC000101353298
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