Vitas-M small molecule compound
[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](furan-2-yl)methanone
Catalog ID
STL166057
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccc(cc1)F)C(=O)c1ccco1
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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 C23H19FN2O4S MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN2O4S/c1-23-13-17(16-5-3-6-18(28-2)20(16)30-23)25(21(27)19-7-4-12-29-19)22(31)26(23)15-10-8-14(24)9-11-15/h3-12,17H,13H2,1-2H3InChIKey
AQNDFPLIDGOEOB-UHFFFAOYSA-NSynonyms
(3(4fluorophenyl)10methoxy2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(furan2yl)methanone
CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5
InChI=1SC23H19FN2O4Sc1231317(1653618(282)20(16)3023)25(21(27)1974122919)22(31)26(23)1510814(24)91115h31217H13H212H3
MFCD14741411
ZINC000100033582
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