Vitas-M small molecule compound

4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylsulfonyl)-2,1,3-benzothiadiazole

Catalog ID
STK444235
SMILES O=S(=O)(c1cccc2c1nsn2)N1CCN2C(C1)CCC2

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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 C13H16N4O2S2 MW 324.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O2S2/c18-21(19,12-5-1-4-11-13(12)15-20-14-11)17-8-7-16-6-2-3-10(16)9-17/h1,4-5,10H,2-3,6-9H2
InChIKey
ILXPDKSMWMDWNY-UHFFFAOYSA-N
Synonyms

4((36DIAZABICYCLO(430)NON3YL)SULFONYL)BENZO(C)125THIADIAZOLE
4(346788ahexahydro1Hpyrrolo(12a)pyrazin2ylsulfonyl)213benzothiadiazole
4(hexahydropyrrolo(12a)pyrazin2(1H)ylsulfonyl)213benzothiadiazole
C1CC2CN(CCN2C1)S(=O)(=O)C3=CC=CC4=NSN=C43
InChI=1SC13H16N4O2S2c1821(19125141113(12)15201411)17871662310(16)917h14510H2369H2
MFCD04055421
ZINC000055056231
ZINC000239310473

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Available files

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