Vitas-M small molecule compound

N-(4-acetylphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]butanamide

Catalog ID
STK858631
SMILES CCC(C(=O)Nc1ccc(cc1)C(=O)C)Sc1nnnn1C

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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 C14H17N5O2S MW 319.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N5O2S/c1-4-12(22-14-16-17-18-19(14)3)13(21)15-11-7-5-10(6-8-11)9(2)20/h5-8,12H,4H2,1-3H3,(H,15,21)
InChIKey
MKCJYSSNZZGXFW-UHFFFAOYSA-N
Synonyms
496772-21-5
496772215
CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=NN2C
InChI=1SC14H17N5O2Sc1412(221416171819(14)3)13(21)15117510(6811)9(2)20h5812H4H213H3(H1521)
MFCD03273396
N(4acetylphenyl)2((1methyl1Htetrazol5yl)sulfanyl)butanamide
N(4acetylphenyl)2((1methyl1Htetrazol5yl)thio)butanamide
N(4ACETYLPHENYL)2(1METHYLTETRAZOL5YL)SULFANYLBUTANAMIDE
ZINC000000549441
ZINC000000549443

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Available files

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