Vitas-M small molecule compound

ethyl 4-{6-fluoro-2-[(4-methylphenyl)carbonyl]-1,1-dioxido-4H-1,4-benzothiazin-4-yl}benzoate

Catalog ID
STL095395
SMILES CCOC(=O)c1ccc(cc1)N1C=C(C(=O)c2ccc(cc2)C)S(=O)(=O)c2c1cc(F)cc2

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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 C25H20FNO5S MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FNO5S/c1-3-32-25(29)18-8-11-20(12-9-18)27-15-23(24(28)17-6-4-16(2)5-7-17)33(30,31)22-13-10-19(26)14-21(22)27/h4-15H,3H2,1-2H3
InChIKey
ZYGJOYWJQORTMV-UHFFFAOYSA-N
Synonyms
1114650-75-7
1114650757
CCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=CC=C(C=C4)C
ethyl4(6fluoro2((4methylphenyl)carbonyl)11dioxido4H14benzothiazin4yl)benzoate
ETHYL4(6FLUORO2(4METHYLBENZOYL)11DIOXIDO4H14BENZOTHIAZIN4YL)BENZOATE
ETHYL4(6FLUORO2(4METHYLBENZOYL)11DIOXIDO4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl4(6fluoro2(4methylbenzoyl)11dioxo1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC25H20FNO5Sc133225(29)1881120(12918)271523(24(28)176416(2)5717)33(3031)22131019(26)1421(22)27h415H3H212H3
MFCD14953489
ZINC000032984355
ZINC32984355

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Available files

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