Vitas-M small molecule compound
5-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxylic acid
Catalog ID
STK359413
SMILES COc1ccc(cc1S(=O)(=O)N1CCCCC1)c1[nH]nc(c1)C(=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 C16H19N3O5S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O5S/c1-24-14-6-5-11(12-10-13(16(20)21)18-17-12)9-15(14)25(22,23)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H,20,21)InChIKey
ROIPKWKLOZVDJW-UHFFFAOYSA-NSynonyms
3(4methoxy3piperidin1ylsulfonylphenyl)1Hpyrazole5carboxylicacid
5(4methoxy3(piperidin1ylsulfonyl)phenyl)1Hpyrazole3carboxylicacid
COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3
COc1ccc(cc1S(=O)(=O)N1CCCCC1)c1(nH)nc(c1)C(=O)O
InChI=1SC16H19N3O5Sc124146511(121013(16(20)21)181712)915(14)25(2223)197324819h56910H2478H21H3(H1718)(H2021)
MFCD11852438
ZINC000020096263
ZINC20096263
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