Vitas-M small molecule compound

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

Catalog ID
STK129935
SMILES Brc1ccccc1C(=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 C17H15BrN4O3S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrN4O3S/c1-20(2)17-21(16(23)11-7-3-5-9-13(11)18)19-15-12-8-4-6-10-14(12)26(24,25)22(15)17/h3-10,17H,1-2H3
InChIKey
HPZAHWIPSJMPOH-UHFFFAOYSA-N
Synonyms
(2BROMOPHENYL)((3R)3(DIMETHYLAMINO)55DIOXIDO(124)TRIAZOLO(43B)(12)BENZOTHIAZOL2(3H)YL)METHANONE
(2BROMOPHENYL)(3(DIMETHYLAMINO)55DIOXIDO(124)TRIAZOLO(43B)(12)BENZOTHIAZOL2(3H)YL)METHANONE
(2BROMOPHENYL)(3(DIMETHYLAMINO)55DIOXO3H(124)TRIAZOLO(43B)(12)BENZOTHIAZOL2YL)METHANONE
CN(C)C1N2C(=NN1C(=O)C3=CC=CC=C3Br)C4=CC=CC=C4S2(=O)=O
Registry IDs
MFCD01446450
ZINC000019831632
ZINC000019831634

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Available files

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