Vitas-M small molecule compound
3-[4-(trifluoromethoxy)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Catalog ID
STK885134
SMILES O=c1oc2c3CN(COc3ccc2c2c1CCCC2)c1ccc(cc1)OC(F)(F)F
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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 C22H18F3NO4 MW 417.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3NO4/c23-22(24,25)30-14-7-5-13(6-8-14)26-11-18-19(28-12-26)10-9-16-15-3-1-2-4-17(15)21(27)29-20(16)18/h5-10H,1-4,11-12H2InChIKey
LJBYKQYRKOPYHE-UHFFFAOYSA-NSynonyms
3(4(trifluoromethoxy)phenyl)2478910hexahydroisochromeno(34f)(13)benzoxazin6one
3(4(trifluoromethoxy)phenyl)3478910hexahydro2H6Hbenzo(34)chromeno(87e)(13)oxazin6one
C1CCC2=C(C1)C3=C(C4=C(C=C3)OCN(C4)C5=CC=C(C=C5)OC(F)(F)F)OC2=O
InChI=1SC22H18F3NO4c2322(2425)30147513(6814)26111819(281226)1091615312417(15)21(27)2920(16)18h510H141112H2
MFCD14915883
ZINC000020933964
ZINC20933964
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