Vitas-M small molecule compound
2-amino-6-benzyl-4-(3-bromophenyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL141746
SMILES N#CC1=C(N)OC2=C(C1c1cccc(c1)Br)S(=O)(=O)N(c1c2cccc1)Cc1ccccc1
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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 C25H18BrN3O3S MW 520.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O3S/c26-18-10-6-9-17(13-18)22-20(14-27)25(28)32-23-19-11-4-5-12-21(19)29(33(30,31)24(22)23)15-16-7-2-1-3-8-16/h1-13,22H,15,28H2InChIKey
ZSXMNEGZBOSFIS-UHFFFAOYSA-NSynonyms
2amino6benzyl4(3bromophenyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
2amino6benzyl4(3bromophenyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C(S2(=O)=O)C(C(=C(O4)N)C#N)C5=CC(=CC=C5)Br
InChI=1SC25H18BrN3O3Sc2618106917(1318)2220(1427)25(28)32231911451221(19)29(33(3031)24(22)23)15167213816h11322H1528H2
MFCD14914366
ZINC000100032390
ZINC000100032393
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