Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192448
SMILES CCOc1ccc(cc1)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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-5-34-20-13-11-19(12-14-20)31-27(33)30-25-21-8-6-7-9-23(21)35-28(31,4)24(25)26(32)29-22-15-10-17(2)16-18(22)3/h6-16,24-25H,5H2,1-4H3,(H,29,32)(H,30,33)InChIKey
YDYVYRJQXFOCFO-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)NC3C(C2(OC4=CC=CC=C34)C)C(=O)NC5=C(C=C(C=C5)C)C
InChI=1SC28H29N3O4c153420131119(121420)3127(33)302521867923(21)3528(314)24(25)26(32)2922151017(2)1618(22)3h6162425H5H214H3(H2932)(H3033)
MFCD22390688
N(24dimethylphenyl)3(4ethoxyphenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000101353300
ZINC000248382802
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