Vitas-M small molecule compound

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

Catalog ID
STL096066
SMILES CCc1cccc(c1)N1C=C(C(=O)OC)S(=O)(=O)c2c1ccc(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 C18H16FNO4S MW 361.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FNO4S/c1-3-12-5-4-6-14(9-12)20-11-17(18(21)24-2)25(22,23)16-10-13(19)7-8-15(16)20/h4-11H,3H2,1-2H3
InChIKey
CYRPPDHTRUOBOJ-UHFFFAOYSA-N
Synonyms
1291855-96-3
1291855963
CCC1=CC(=CC=C1)N2C=C(S(=O)(=O)C3=C2C=CC(=C3)F)C(=O)OC
InChI=1SC18H16FNO4Sc131254614(912)201117(18(21)242)25(2223)161013(19)7815(16)20h411H3H212H3
methyl4(3ethylphenyl)7fluoro11dioxo1$l^(6)4benzothiazine2carboxylate
methyl4(3ethylphenyl)7fluoro4H14benzothiazine2carboxylate11dioxide
METHYL4(3ETHYLPHENYL)7FLUORO4HBENZO(B)(14)THIAZINE2CARBOXYLATE11DIOXIDE
MFCD18788343
ZINC000064979228
ZINC64979228

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.