Vitas-M small molecule compound
methyl 6-chloro-4-(2-fluorophenyl)-4-hydroxy-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Catalog ID
STL096172
SMILES COC(=O)C1NS(=O)(=O)c2c(C1(O)c1ccccc1F)cc(cc2)Cl
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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 C16H13ClFNO5S MW 385.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFNO5S/c1-24-15(20)14-16(21,10-4-2-3-5-12(10)18)11-8-9(17)6-7-13(11)25(22,23)19-14/h2-8,14,19,21H,1H3InChIKey
SQBSFEYSJCYBOL-UHFFFAOYSA-NSynonyms
1291831-35-01291831350
COC(=O)C1C(C2=C(C=CC(=C2)Cl)S(=O)(=O)N1)(C3=CC=CC=C3F)O
InChI=1SC16H13ClFNO5Sc12415(20)1416(2110423512(10)18)1189(17)6713(11)25(2223)1914h28141921H1H3
methyl6chloro4(2fluorophenyl)4hydroxy11dioxo23dihydro1$l^(6)2benzothiazine3carboxylate
methyl6chloro4(2fluorophenyl)4hydroxy34dihydro2H12benzothiazine3carboxylate11dioxide
MFCD18788434
ZINC000067244948
ZINC000067244955
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