Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STK789123
SMILES Cc1nc(SCC(=O)N2CCc3c(C2)cccc3)nc(c1)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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-11-8-14(20)18-16(17-11)22-10-15(21)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8H,6-7,9-10H2,1H3,(H,17,18,20)InChIKey
LQNRYGGWUIIUPI-UHFFFAOYSA-NSynonyms
386763-39-91(34dihydroisoquinolin2(1H)yl)2((4hydroxy6methylpyrimidin2yl)sulfanyl)ethanone
1(34dihydroisoquinolin2(1H)yl)2((4hydroxy6methylpyrimidin2yl)thio)ethanone
2((2(34DIHYDRO2(1H)ISOQUINOLINYL)2OXOETHYL)THIO)6METHYL4PYRIMIDINOL
2(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL6METHYL1HPYRIMIDIN4ONE
386763399
CC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2
InChI=1SC16H17N3O2Sc111814(20)1816(1711)221015(21)197612423513(12)919h258H67910H21H3(H171820)
MFCD03480966
ZINC000009439621
ZINC9439621
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