Vitas-M small molecule compound
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Catalog ID
STL161189
SMILES O=C(N1CCc2c(C1)cccc2)CSc1ncccc1C(=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 C17H16N2O3S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S/c20-15(11-23-16-14(17(21)22)6-3-8-18-16)19-9-7-12-4-1-2-5-13(12)10-19/h1-6,8H,7,9-11H2,(H,21,22)InChIKey
DJYIFIMYSNBVJG-UHFFFAOYSA-NSynonyms
1054070-75-51054070755
2((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)pyridine3carboxylicacid
2((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)nicotinicacid
2(2(34dihydro1Hisoquinolin2yl)2oxoethyl)sulfanylpyridine3carboxylicacid
C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C=CC=N3)C(=O)O
InChI=1SC17H16N2O3Sc2015(11231614(17(21)22)6381816)199712412513(12)1019h168H7911H2(H2122)
MFCD18797243
ZINC000013188494
ZINC13188494
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