Vitas-M small molecule compound

methyl 4-(4-bromo-3-methylphenyl)-7-fluoro-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide

Catalog ID
STL096083
SMILES COC(=O)C1=CN(c2ccc(c(c2)C)Br)c2c(S1(=O)=O)cc(cc2)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 C17H13BrFNO4S MW 426.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrFNO4S/c1-10-7-12(4-5-13(10)18)20-9-16(17(21)24-2)25(22,23)15-8-11(19)3-6-14(15)20/h3-9H,1-2H3
InChIKey
YTIRTUDXRQLSDZ-UHFFFAOYSA-N
Synonyms
1291836-83-3
1291836833
CC1=C(C=CC(=C1)N2C=C(S(=O)(=O)C3=C2C=CC(=C3)F)C(=O)OC)Br
InChI=1SC17H13BrFNO4Sc110712(4513(10)18)20916(17(21)242)25(2223)15811(19)3614(15)20h39H12H3
methyl4(4bromo3methylphenyl)7fluoro11dioxo1$l^(6)4benzothiazine2carboxylate
methyl4(4bromo3methylphenyl)7fluoro4H14benzothiazine2carboxylate11dioxide
METHYL4(4BROMO3METHYLPHENYL)7FLUORO4HBENZO(B)(14)THIAZINE2CARBOXYLATE11DIOXIDE
MFCD18788360
ZINC000064979255
ZINC64979255

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Available files

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