Vitas-M small molecule compound
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK510657
SMILES CSCCc1[nH]c(c(c1C)C#N)NC(=O)CSc1nc(OC)cc(=O)[nH]1
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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 C16H19N5O3S2 MW 393.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O3S2/c1-9-10(7-17)15(18-11(9)4-5-25-3)19-13(23)8-26-16-20-12(22)6-14(21-16)24-2/h6,18H,4-5,8H2,1-3H3,(H,19,23)(H,20,21,22)InChIKey
QDNUNTYVUWTOJZ-UHFFFAOYSA-NSynonyms
CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=CC(=O)N2)OC)CCSC
CSCCc1(nH)c(c(c1C)C#N)NC(=O)CSc1nc(OC)cc(=O)(nH)1
InChI=1SC16H19N5O3S2c1910(717)15(1811(9)45253)1913(23)826162012(22)614(2116)242h618H458H213H3(H1923)(H202122)
MFCD09063326
N(3cyano4methyl5(2(methylsulfanyl)ethyl)1Hpyrrol2yl)2((4methoxy6oxo16dihydropyrimidin2yl)sulfanyl)acetamide
N(3cyano4methyl5(2methylsulfanylethyl)1Hpyrrol2yl)2((4methoxy6oxo1Hpyrimidin2yl)sulfanyl)acetamide
ZINC000012372017
ZINC12372017
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