Vitas-M small molecule compound
ethyl 4-({[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK035600
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(c2ccccc2)c(c(=O)[nH]1)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/c1-2-30-21(29)15-8-10-16(11-9-15)24-18(27)13-31-22-25-19(14-6-4-3-5-7-14)17(12-23)20(28)26-22/h3-11H,2,13H2,1H3,(H,24,27)(H,25,26,28)InChIKey
NSMQTKVCEAPCNS-UHFFFAOYSA-NSynonyms
462615-26-5462615265
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(c2ccccc2)c(c(=O)(nH)1)C#N
ETHYL4((((5CYANO6OXO4PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H18N4O4Sc123021(29)1581016(11915)2418(27)1331222519(146435714)17(1223)20(28)2622h311H213H21H3(H2427)(H252628)
MFCD03243662
STK035600
ZINC000002748015
ZINC02748015
ZINC2748015
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