Vitas-M small molecule compound

6-nitro-2-(piperidin-1-yl)-1,3-benzothiazole

Catalog ID
STK506872
SMILES [O-][N+](=O)c1ccc2c(c1)sc(n2)N1CCCCC1

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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c16-15(17)9-4-5-10-11(8-9)18-12(13-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKey
PLSZRVGIOIGRNA-UHFFFAOYSA-N
Synonyms
73761-38-3
(O)(N+)(=O)c1ccc2c(c1)sc(n2)N1CCCCC1
6nitro2(piperidin1yl)13benzothiazole
6NITRO2PIPERIDIN1YL13BENZOTHIAZOLE
6NITRO2PIPERIDYLBENZOTHIAZOLE
73761383
BENZOTHIAZOLE6NITRO2(1PIPERIDINYL)
C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC12H13N3O2Sc1615(17)9451011(89)1812(1310)146213714h458H1367H2
MFCD01203881
ZINC000000066686
ZINC00066686
ZINC66686

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Available files

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