Vitas-M small molecule compound

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide

Catalog ID
STK204241
SMILES CCCCc1nnc(s1)NC(=O)c1cccc(c1C)[N+](=O)[O-]

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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 C14H16N4O3S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3S/c1-3-4-8-12-16-17-14(22-12)15-13(19)10-6-5-7-11(9(10)2)18(20)21/h5-7H,3-4,8H2,1-2H3,(H,15,17,19)
InChIKey
PZZVNXRJYPJCHT-UHFFFAOYSA-N
Synonyms
827616-80-8
827616808
CCCCC1=NN=C(S1)NC(=O)C2=C(C(=CC=C2)(N+)(=O)(O))C
CCCCc1nnc(s1)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC14H16N4O3Sc134812161714(2212)1513(19)1065711(9(10)2)18(20)21h57H348H212H3(H151719)
MFCD06152883
N(5BUTYL(134THIADIAZOL2YL))(2METHYL3NITROPHENYL)CARBOXAMIDE
N(5BUTYL134THIADIAZOL2YL)2METHYL3NITROBENZAMIDE
ZINC000002879481
ZINC02879481
ZINC2879481

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Available files

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