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](2-methoxyphenyl)methanone
Catalog ID
STL166068
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccc(cc1)F)C(=O)c1ccccc1OC
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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 C26H23FN2O4S MW 478.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O4S/c1-26-15-20(18-8-6-10-22(32-3)23(18)33-26)28(24(30)19-7-4-5-9-21(19)31-2)25(34)29(26)17-13-11-16(27)12-14-17/h4-14,20H,15H2,1-3H3InChIKey
XJZAVOJVLMXCME-UHFFFAOYSA-NSynonyms
(3(4fluorophenyl)10methoxy2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(2methoxyphenyl)methanone
CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5OC
InChI=1SC26H23FN2O4Sc1261520(18861022(323)23(18)3326)28(24(30)19745921(19)312)25(34)29(26)17131116(27)121417h41420H15H213H3
MFCD14741442
ZINC000100034202
Check stock
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Check stock on Vitas-MAvailable files
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