Vitas-M small molecule compound
3-(4-fluorophenyl)-2-methyl-5-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094487
SMILES COc1c(OC)cc(cc1OC)C(=O)N1C2CC(N(C1=O)c1ccc(cc1)F)(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 C27H25FN2O6 MW 492.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O6/c1-27-15-20(19-7-5-6-8-21(19)36-27)29(26(32)30(27)18-11-9-17(28)10-12-18)25(31)16-13-22(33-2)24(35-4)23(14-16)34-3/h5-14,20H,15H2,1-4H3InChIKey
HUKNWEQUPDWBMO-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)2methyl5((345trimethoxyphenyl)carbonyl)2356tetrahydro4H26methano135benzoxadiazocin4one
CC12CC(C3=CC=CC=C3O1)N(C(=O)N2C4=CC=C(C=C4)F)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC27H25FN2O6c1271520(19756821(19)3627)29(26(32)30(27)1811917(28)101218)25(31)161322(332)24(354)23(1416)343h51420H15H214H3
MFCD14741466
ZINC000101354474
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