Vitas-M small molecule compound
2-amino-4-(3,4-dihydroxyphenyl)-6-(2-methylbenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL081767
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)O)O)S(=O)(=O)N(c1c2cccc1)Cc1ccccc1C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H21N3O5S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5S/c1-15-6-2-3-7-17(15)14-29-20-9-5-4-8-18(20)24-25(35(29,32)33)23(19(13-27)26(28)34-24)16-10-11-21(30)22(31)12-16/h2-12,23,30-31H,14,28H2,1H3InChIKey
ZIEJKWTXPPYISH-UHFFFAOYSA-NSynonyms
2amino4(34dihydroxyphenyl)6((2methylphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
2amino4(34dihydroxyphenyl)6(2methylbenzyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C(S2(=O)=O)C(C(=C(O4)N)C#N)C5=CC(=C(C=C5)O)O
InChI=1SC26H21N3O5Sc115623717(15)142920954818(20)2425(35(2932)33)23(19(1327)26(28)3424)16101121(30)22(31)1216h212233031H1428H21H3
MFCD18201748
ZINC000067225347
ZINC000067225349
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