Vitas-M small molecule compound
2-amino-6-benzyl-4-(4-methoxyphenyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL081667
SMILES COc1ccc(cc1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccccc1)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 C26H21N3O4S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4S/c1-32-19-13-11-18(12-14-19)23-21(15-27)26(28)33-24-20-9-5-6-10-22(20)29(34(30,31)25(23)24)16-17-7-3-2-4-8-17/h2-14,23H,16,28H2,1H3InChIKey
NPZTYJZKMJVTTD-UHFFFAOYSA-NSynonyms
2amino6benzyl4(4methoxyphenyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
2amino6benzyl4(4methoxyphenyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
COC1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=CC=C5)N)C#N
InChI=1SC26H21N3O4Sc13219131118(121419)2321(1527)26(28)3324209561022(20)29(34(3031)25(23)24)16177324817h21423H1628H21H3
MFCD14914371
ZINC000020558237
ZINC000020558239
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