Vitas-M small molecule compound
[5,5-dioxido-3-(piperidin-1-yl)[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2(3H)-yl](4-methoxyphenyl)methanone
Catalog ID
STL286957
SMILES COc1ccc(cc1)C(=O)N1N=C2N(C1N1CCCCC1)S(=O)(=O)c1c2cccc1
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-29-16-11-9-15(10-12-16)20(26)24-21(23-13-5-2-6-14-23)25-19(22-24)17-7-3-4-8-18(17)30(25,27)28/h3-4,7-12,21H,2,5-6,13-14H2,1H3InChIKey
NOHSXDAPAZACKI-UHFFFAOYSA-NSynonyms
(55dioxido3(piperidin1yl)(124)triazolo(43b)(12)benzothiazol2(3H)yl)(4methoxyphenyl)methanone
(55DIOXO3PIPERIDIN1YL3H(124)TRIAZOLO(43B)(12)BENZOTHIAZOL2YL)(4METHOXYPHENYL)METHANONE
2((4METHOXYPHENYL)CARBONYL)3PIPERIDYL4HYDRO3HBENZO(D)124TRIAZOLINO(43B)ISOTHIAZOLE55DIONE
COC1=CC=C(C=C1)C(=O)N2C(N3C(=N2)C4=CC=CC=C4S3(=O)=O)N5CCCCC5
InChI=1SC21H22N4O4Sc1291611915(101216)20(26)2421(23135261423)2519(2224)17734818(17)30(2527)28h3471221H2561314H21H3
MFCD01579577
ZINC000019596691
ZINC000019596692
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