Vitas-M small molecule compound
methyl ({[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)(phenyl)acetate
Catalog ID
STK289663
SMILES COC(=O)C(c1ccccc1)NC(=O)CSc1[nH]c(=O)c(c(n1)c1ccccc1)C#N
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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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-30-21(29)19(15-10-6-3-7-11-15)24-17(27)13-31-22-25-18(14-8-4-2-5-9-14)16(12-23)20(28)26-22/h2-11,19H,13H2,1H3,(H,24,27)(H,25,26,28)InChIKey
KAORSIRPTDKTBL-UHFFFAOYSA-NSynonyms
COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N
COC(=O)C(c1ccccc1)NC(=O)CSc1(nH)c(=O)c(c(n1)c1ccccc1)C#N
InChI=1SC22H18N4O4Sc13021(29)19(15106371115)2417(27)1331222518(148425914)16(1223)20(28)2622h21119H13H21H3(H2427)(H252628)
methyl((((5cyano6oxo4phenyl16dihydropyrimidin2yl)sulfanyl)acetyl)amino)(phenyl)acetate
METHYL2((2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)2PHENYLACETATE
MFCD05260332
ZINC000012417386
ZINC000012417388
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