Vitas-M small molecule compound
1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethanone
Catalog ID
STK975304
SMILES COc1ccc(cc1CSc1nc(O)c(c(n1)O)Cc1ccccc1)C(=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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-13(24)15-8-9-18(27-2)16(11-15)12-28-21-22-19(25)17(20(26)23-21)10-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H2,22,23,25,26)InChIKey
KPGPSQKKXVKGTN-UHFFFAOYSA-NSynonyms
512795-73-21(3(((5benzyl46dihydroxypyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)ethanone
1(3(((5BENZYL46DIHYDROXYPYRIMIDIN2YL)THIO)METHYL)4METHOXYPHENYL)ETHANONE
2((5ACETYL2METHOXYPHENYL)METHYLSULFANYL)5BENZYL4HYDROXY1HPYRIMIDIN6ONE
512795732
CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O
InChI=1SC21H20N2O4Sc113(24)158918(272)16(1115)1228212219(25)17(20(26)2321)10146435714h3911H1012H212H3(H222232526)
MFCD03776139
ZINC000004978206
ZINC4978206
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