Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-8-(1,1-dioxidotetrahydrothiophen-3-yl)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
Catalog ID
STL099313
SMILES O=C1/C(=C/c2c(F)cccc2Cl)/Oc2c1ccc1c2CN(CO1)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 C21H17ClFNO5S MW 449.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFNO5S/c22-16-2-1-3-17(23)14(16)8-19-20(25)13-4-5-18-15(21(13)29-19)9-24(11-28-18)12-6-7-30(26,27)10-12/h1-5,8,12H,6-7,9-11H2/b19-8-InChIKey
PHTCRRFNWBDADO-UWVJOHFNSA-NSynonyms
946385-34-8(2Z)2((2chloro6fluorophenyl)methylidene)8(11dioxothiolan3yl)79dihydrofuro(23f)(13)benzoxazin3one
(2Z)2(2chloro6fluorobenzylidene)8(11dioxidotetrahydrothiophen3yl)89dihydro7Hfuro(23f)(13)benzoxazin3(2H)one
946385348
C1CS(=O)(=O)CC1N2CC3=C(C=CC4=C3OC(=CC5=C(C=CC=C5Cl)F)C4=O)OC2
InChI=1SC21H17ClFNO5Sc221621317(23)14(16)81920(25)13451815(21(13)2919)924(112818)126730(2627)1012h15812H67911H2b198
MFCD09986360
O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CO1)C1CCS(=O)(=O)C1
ZINC000012442582
ZINC000012442584
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