Vitas-M small molecule compound

tert-butyl 4-(4-ethylphenyl)-7-fluoro-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide

Catalog ID
STL133506
SMILES CCc1ccc(cc1)N1C=C(C(=O)OC(C)(C)C)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 C21H22FNO4S MW 403.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FNO4S/c1-5-14-6-9-16(10-7-14)23-13-19(20(24)27-21(2,3)4)28(25,26)18-12-15(22)8-11-17(18)23/h6-13H,5H2,1-4H3
InChIKey
OJEJUOZSIDXKJO-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=CC(=C3)F)C(=O)OC(C)(C)C
InChI=1SC21H22FNO4Sc15146916(10714)231319(20(24)2721(23)4)28(2526)181215(22)81117(18)23h613H5H214H3
MFCD20753715
tertbutyl4(4ethylphenyl)7fluoro11dioxo1$l^(6)4benzothiazine2carboxylate
tertbutyl4(4ethylphenyl)7fluoro4H14benzothiazine2carboxylate11dioxide
ZINC000064775141
ZINC64775141

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Available files

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