Vitas-M small molecule compound
3-(3,5-dimethylphenyl)-5-[(4-methoxyphenyl)carbonyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL166054
SMILES COc1ccc(cc1)C(=O)N1C2CC(N(C1=O)c1cc(C)cc(c1)C)(C)Oc1c2cccc1
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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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-17-13-18(2)15-20(14-17)29-26(31)28(25(30)19-9-11-21(32-4)12-10-19)23-16-27(29,3)33-24-8-6-5-7-22(23)24/h5-15,23H,16H2,1-4H3InChIKey
NVKBDUMELZNZFV-UHFFFAOYSA-NSynonyms
687584-46-93(35dimethylphenyl)5((4methoxyphenyl)carbonyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
687584469
CC1=CC(=CC(=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=C(C=C5)OC)C
InChI=1SC27H26N2O4c1171318(2)1520(1417)2926(31)28(25(30)1991121(324)121019)231627(293)3324865722(23)24h51523H16H214H3
MFCD14725961
ZINC000100034174
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