Vitas-M small molecule compound

[3-(dimethylamino)-5,5-dioxido[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2(3H)-yl](2-methoxyphenyl)methanone

Catalog ID
STK377169
SMILES COc1ccccc1C(=O)N1N=C2N(C1N(C)C)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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-20(2)18-21(17(23)12-8-4-6-10-14(12)26-3)19-16-13-9-5-7-11-15(13)27(24,25)22(16)18/h4-11,18H,1-3H3
InChIKey
ULPYBVLSPUTBQJ-UHFFFAOYSA-N
Synonyms

(3(dimethylamino)55dioxido(124)triazolo(43b)(12)benzothiazol2(3H)yl)(2methoxyphenyl)methanone
(3(DIMETHYLAMINO)55DIOXO3H(124)TRIAZOLO(43B)(12)BENZOTHIAZOL2YL)(2METHOXYPHENYL)METHANONE
CN(C)C1N2C(=NN1C(=O)C3=CC=CC=C3OC)C4=CC=CC=C4S2(=O)=O
InChI=1SC18H18N4O4Sc120(2)1821(17(23)128461014(12)263)1916139571115(13)27(2425)22(16)18h41118H13H3
MFCD01446451
ZINC000022612127
ZINC000022612129

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.