Vitas-M small molecule compound
[3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
Catalog ID
STL192572
SMILES COc1c(OC)cc(cc1OC)C(=O)N1C2CC(N(C1=S)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 C27H25FN2O5S MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O5S/c1-27-15-20(19-7-5-6-8-21(19)35-27)29(26(36)30(27)18-11-9-17(28)10-12-18)25(31)16-13-22(32-2)24(34-4)23(14-16)33-3/h5-14,20H,15H2,1-4H3InChIKey
KOYBYWWXTWJFHL-UHFFFAOYSA-NSynonyms
(3(4fluorophenyl)2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(345trimethoxyphenyl)methanone
CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC27H25FN2O5Sc1271520(19756821(19)3527)29(26(36)30(27)1811917(28)101218)25(31)161322(322)24(344)23(1416)333h51420H15H214H3
MFCD14741423
ZINC000100033690
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Check stock on Vitas-MAvailable files
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