Vitas-M small molecule compound

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

Catalog ID
STK215787
SMILES CCCCc1nnc(s1)NC(=O)c1ccc(cc1)[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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-2-3-4-11-15-16-13(21-11)14-12(18)9-5-7-10(8-6-9)17(19)20/h5-8H,2-4H2,1H3,(H,14,16,18)
InChIKey
QQACXKQHVJCFSU-UHFFFAOYSA-N
Synonyms
308298-82-0
308298820
CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CCCCc1nnc(s1)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H14N4O3Sc123411151613(2111)1412(18)95710(869)17(19)20h58H24H21H3(H141618)
MFCD01043916
N(5BUTYL(134THIADIAZOL2YL))(4NITROPHENYL)CARBOXAMIDE
N(5BUTYL134THIADIAZOL2YL)4NITROBENZAMIDE
ZINC000001895659
ZINC01895659
ZINC1895659

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Available files

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