Vitas-M small molecule compound
2-amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL081768
SMILES COc1cccc(c1)CN1c2ccccc2C2=C(S1(=O)=O)C(c1ccc(cc1)O)C(=C(O2)N)C#N
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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 C26H21N3O5S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5S/c1-33-19-6-4-5-16(13-19)15-29-22-8-3-2-7-20(22)24-25(35(29,31)32)23(21(14-27)26(28)34-24)17-9-11-18(30)12-10-17/h2-13,23,30H,15,28H2,1H3InChIKey
ZQBZAYJNICGFPT-UHFFFAOYSA-NSynonyms
893300-74-82amino4(4hydroxyphenyl)6((3methoxyphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
2AMINO4(4HYDROXYPHENYL)6(3METHOXYBENZYL)46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZINE3CARBONITRILE55DIOXIDE
2amino4(4hydroxyphenyl)6(3methoxybenzyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
893300748
COC1=CC=CC(=C1)CN2C3=CC=CC=C3C4=C(S2(=O)=O)C(C(=C(O4)N)C#N)C5=CC=C(C=C5)O
InChI=1SC26H21N3O5Sc1331964516(1319)152922832720(22)2425(35(2931)32)23(21(1427)26(28)3424)1791118(30)121017h2132330H1528H21H3
MFCD14914533
ZINC000020558729
ZINC000020558731
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