Vitas-M small molecule compound

ethyl 3-{[5-(acetylamino)-1H-1,2,4-triazol-3-yl]sulfonyl}propanoate

Catalog ID
STK897624
SMILES CCOC(=O)CCS(=O)(=O)c1n[nH]c(n1)NC(=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 C9H14N4O5S MW 290.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H14N4O5S/c1-3-18-7(15)4-5-19(16,17)9-11-8(12-13-9)10-6(2)14/h3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
CJSQOTRHMJMSSL-UHFFFAOYSA-N
Synonyms

CCOC(=O)CCS(=O)(=O)C1=NC(=NN1)NC(=O)C
CCOC(=O)CCS(=O)(=O)c1n(nH)c(n1)NC(=O)C
ethyl3((3acetamido1H124triazol5yl)sulfonyl)propanoate
ethyl3((5(acetylamino)1H124triazol3yl)sulfonyl)propanoate
InChI=1SC9H14N4O5Sc13187(15)4519(1617)9118(12139)106(2)14h35H212H3(H21011121314)
MFCD15147733
ZINC000040488439
ZINC40488439

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Available files

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