Vitas-M small molecule compound

3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Catalog ID
STK089146
SMILES CC(CC(=O)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])C

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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 C12H13N3O3S MW 279.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O3S/c1-7(2)5-11(16)14-12-13-9-4-3-8(15(17)18)6-10(9)19-12/h3-4,6-7H,5H2,1-2H3,(H,13,14,16)
InChIKey
ZOBQBSPDZKNQOV-UHFFFAOYSA-N
Synonyms
349574-63-6
349574636
3METHYLN(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
3methylN(6nitrobenzo(d)thiazol2yl)butanamide
3METHYLN(6NITROBENZOTHIAZOL2YL)BUTANAMIDE
CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)(N+)(=O)(O)
CC(CC(=O)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))C
InChI=1SC12H13N3O3Sc17(2)511(16)1412139438(15(17)18)610(9)1912h3467H5H212H3(H131416)
MFCD02603787
STK089146
ZINC000008994385
ZINC08994385
ZINC8994385

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Available files

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