Vitas-M small molecule compound
2-amino-6-(4-fluorobenzyl)-4-(3-hydroxyphenyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL081728
SMILES N#CC1=C(N)OC2=C(C1c1cccc(c1)O)S(=O)(=O)N(c1c2cccc1)Cc1ccc(cc1)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 C25H18FN3O4S MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN3O4S/c26-17-10-8-15(9-11-17)14-29-21-7-2-1-6-19(21)23-24(34(29,31)32)22(20(13-27)25(28)33-23)16-4-3-5-18(30)12-16/h1-12,22,30H,14,28H2InChIKey
CESDLMMSMWIKHV-UHFFFAOYSA-NSynonyms
893293-79-32amino6((4fluorophenyl)methyl)4(3hydroxyphenyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
2AMINO6(4FLUOROBENZYL)4(3HYDROXYPHENYL)46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZINE3CARBONITRILE55DIOXIDE
2amino6(4fluorobenzyl)4(3hydroxyphenyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
893293793
C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC(=CC=C4)O)S(=O)(=O)N2CC5=CC=C(C=C5)F
InChI=1SC25H18FN3O4Sc261710815(91117)142921721619(21)2324(34(2931)32)22(20(1327)25(28)3323)1643518(30)1216h1122230H1428H2
MFCD14914444
ZINC000020558491
ZINC000020558493
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