Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK236268
SMILES COc1cc(=O)[nH]c(n1)SCC(=O)Nc1sc2c(c1C#N)CCCC2
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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 C16H16N4O3S2 MW 376.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S2/c1-23-14-6-12(21)19-16(20-14)24-8-13(22)18-15-10(7-17)9-4-2-3-5-11(9)25-15/h6H,2-5,8H2,1H3,(H,18,22)(H,19,20,21)InChIKey
XBKCDPPTWSQTQB-UHFFFAOYSA-NSynonyms
COC1=CC(=O)NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N
COc1cc(=O)(nH)c(n1)SCC(=O)Nc1sc2c(c1C#N)CCCC2
InChI=1SC16H16N4O3S2c12314612(21)1916(2014)24813(22)181510(717)9423511(9)2515h6H258H21H3(H1822)(H192021)
MFCD07792620
N(3cyano4567tetrahydro1benzothiophen2yl)2((4methoxy6oxo16dihydropyrimidin2yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((4methoxy6oxo1Hpyrimidin2yl)sulfanyl)acetamide
ZINC000004999548
ZINC04999548
ZINC4999548
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