Vitas-M small molecule compound
ethyl 4-(4-ethylphenyl)-6-fluoro-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate 1,1-dioxide
Catalog ID
STL133518
SMILES CCOC(=O)C1CN(c2ccc(cc2)CC)c2c(S1(=O)=O)ccc(c2)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 C19H20FNO4S MW 377.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20FNO4S/c1-3-13-5-8-15(9-6-13)21-12-18(19(22)25-4-2)26(23,24)17-10-7-14(20)11-16(17)21/h5-11,18H,3-4,12H2,1-2H3InChIKey
QOCHEZZKWRQWFQ-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2CC(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)OCC
ethyl4(4ethylphenyl)6fluoro11dioxo23dihydro1$l^(6)4benzothiazine2carboxylate
ethyl4(4ethylphenyl)6fluoro34dihydro2H14benzothiazine2carboxylate11dioxide
InChI=1SC19H20FNO4Sc13135815(9613)211218(19(22)2542)26(2324)1710714(20)1116(17)21h51118H3412H212H3
MFCD20753724
ZINC000067340759
ZINC000067340761
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