Vitas-M small molecule compound
3-benzyl-N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192467
SMILES CCOc1cccc2c1OC1(C)N(Cc3ccccc3)C(=O)NC2C1C(=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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-5-35-23-13-9-12-21-25-24(27(33)30-22-15-14-18(2)16-19(22)3)29(4,36-26(21)23)32(28(34)31-25)17-20-10-7-6-8-11-20/h6-16,24-25H,5,17H2,1-4H3,(H,30,33)(H,31,34)InChIKey
HUILXQJUJJDERV-UHFFFAOYSA-NSynonyms
3benzylN(24dimethylphenyl)10ethoxy2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CCOC1=CC=CC2=C1OC3(C(C2NC(=O)N3CC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC29H31N3O4c15352313912212524(27(33)3022151418(2)1619(22)3)29(43626(21)23)32(28(34)3125)1720107681120h6162425H517H214H3(H3033)(H3134)
MFCD22390706
ZINC000106937683
ZINC000248377821
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