Vitas-M small molecule compound
(3E)-3-(4-methoxybenzylidene)-2-pentyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
Catalog ID
STL441439
SMILES CCCCCN1/C(=C/c2ccc(cc2)OC)/C(=O)c2c(S1(=O)=O)cccc2
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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 C21H23NO4S MW 385.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4S/c1-3-4-7-14-22-19(15-16-10-12-17(26-2)13-11-16)21(23)18-8-5-6-9-20(18)27(22,24)25/h5-6,8-13,15H,3-4,7,14H2,1-2H3/b19-15+InChIKey
GNVKCOZOVKREQA-XDJHFCHBSA-NSynonyms
(3E)3((4methoxyphenyl)methylidene)11dioxo2pentyl1$l^(6)2benzothiazin4one
(3E)3(4methoxybenzylidene)2pentyl23dihydro4H12benzothiazin4one11dioxide
CCCCCN1C(=CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3S1(=O)=O
CCCCCN1C(=Cc2ccc(cc2)OC)C(=O)c2c(S1(=O)=O)cccc2
InChI=1SC21H23NO4Sc1347142219(1516101217(262)131116)21(23)18856920(18)27(2224)25h5681315H34714H212H3b1915+
MFCD08060308
ZINC000005274938
ZINC5274938
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