Vitas-M small molecule compound
(5-bromofuran-2-yl)(10-methoxy-2-methyl-3-phenyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
Catalog ID
STL094520
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccccc1)C(=O)c1ccc(o1)Br
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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 C23H19BrN2O4S MW 499.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O4S/c1-23-13-16(15-9-6-10-17(28-2)20(15)30-23)25(21(27)18-11-12-19(24)29-18)22(31)26(23)14-7-4-3-5-8-14/h3-12,16H,13H2,1-2H3InChIKey
MTFRCGRATUWLNN-UHFFFAOYSA-NSynonyms
(5bromofuran2yl)(10methoxy2methyl3phenyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)methanone
CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=CC=C4)C(=O)C5=CC=C(O5)Br
InChI=1SC23H19BrN2O4Sc1231316(15961017(282)20(15)3023)25(21(27)18111219(24)2918)22(31)26(23)147435814h31216H13H212H3
MFCD14741427
ZINC000101354277
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