Vitas-M small molecule compound
(7Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-7-(2-fluorobenzylidene)-9-methyl-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one
Catalog ID
STK647315
SMILES O=C1/C(=C/c2ccccc2F)/Oc2c1cc1CN(COc1c2C)C1CCS(=O)(=O)C1
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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 C22H20FNO5S MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5S/c1-13-21-15(10-24(12-28-21)16-6-7-30(26,27)11-16)8-17-20(25)19(29-22(13)17)9-14-4-2-3-5-18(14)23/h2-5,8-9,16H,6-7,10-12H2,1H3/b19-9-InChIKey
LUJPZBRHWHANOG-OCKHKDLRSA-NSynonyms
1021044-43-8(7Z)3(11dioxidotetrahydrothiophen3yl)7(2fluorobenzylidene)9methyl34dihydro2Hfuro(32g)(13)benzoxazin6(7H)one
(7Z)3(11dioxothiolan3yl)7((2fluorophenyl)methylidene)9methyl24dihydrofuro(32g)(13)benzoxazin6one
(Z)3(11dioxidotetrahydrothiophen3yl)7(2fluorobenzylidene)9methyl34dihydro2Hbenzofuro(56e)(13)oxazin6(7H)one
1021044438
CC1=C2C(=CC3=C1OCN(C3)C4CCS(=O)(=O)C4)C(=O)C(=CC5=CC=CC=C5F)O2
InChI=1SC22H20FNO5Sc1132115(1024(122821)166730(2627)1116)81720(25)19(2922(13)17)914423518(14)23h258916H671012H21H3b199
MFCD12204458
O=C1C(=Cc2ccccc2F)Oc2c1cc1CN(COc1c2C)C1CCS(=O)(=O)C1
ZINC000054333113
ZINC000054333114
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