Vitas-M small molecule compound
ethyl 3-{6-fluoro-2-[(4-methylphenyl)carbonyl]-1,1-dioxido-4H-1,4-benzothiazin-4-yl}benzoate
Catalog ID
STL095394
SMILES CCOC(=O)c1cccc(c1)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)18-5-4-6-20(13-18)27-15-23(24(28)17-9-7-16(2)8-10-17)33(30,31)22-12-11-19(26)14-21(22)27/h4-15H,3H2,1-2H3InChIKey
JMXHJVCOXZFQHN-UHFFFAOYSA-NSynonyms
1114852-85-51114852855
CCOC(=O)C1=CC(=CC=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)C4=CC=C(C=C4)C
ethyl3(6fluoro2((4methylphenyl)carbonyl)11dioxido4H14benzothiazin4yl)benzoate
ETHYL3(6FLUORO2(4METHYLBENZOYL)11DIOXIDO4H14BENZOTHIAZIN4YL)BENZOATE
ETHYL3(6FLUORO2(4METHYLBENZOYL)11DIOXIDO4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl3(6fluoro2(4methylbenzoyl)11dioxo1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC25H20FNO5Sc133225(29)1854620(1318)271523(24(28)179716(2)81017)33(3031)22121119(26)1421(22)27h415H3H212H3
MFCD14953488
ZINC000032984354
ZINC32984354
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