Vitas-M small molecule compound

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide

Catalog ID
STK743907
SMILES O=C(Cn1c(C)ncc1[N+](=O)[O-])Nc1c(C)ccc2c1nsn2

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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 C13H12N6O3S MW 332.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N6O3S/c1-7-3-4-9-13(17-23-16-9)12(7)15-10(20)6-18-8(2)14-5-11(18)19(21)22/h3-5H,6H2,1-2H3,(H,15,20)
InChIKey
YZZOWVJKSYFFQO-UHFFFAOYSA-N
Synonyms

CC1=C(C2=NSN=C2C=C1)NC(=O)CN3C(=NC=C3(N+)(=O)(O))C
InChI=1SC13H12N6O3Sc1734913(1723169)12(7)1510(20)6188(2)14511(18)19(21)22h35H6H212H3(H1520)
MFCD06016908
N(5methyl213benzothiadiazol4yl)2(2methyl5nitro1Himidazol1yl)acetamide
N(5METHYL213BENZOTHIADIAZOL4YL)2(2METHYL5NITROIMIDAZOL1YL)ACETAMIDE
O=C(Cn1c(C)ncc1(N+)(=O)(O))Nc1c(C)ccc2c1nsn2
ZINC000004385772
ZINC04385772
ZINC4385772

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Available files

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