Vitas-M small molecule compound
ethyl 4-amino-2-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Catalog ID
STL359708
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1cc(Cl)ccc1OC
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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 C16H17ClN4O4S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O4S/c1-3-25-15(23)10-7-19-16(21-14(10)18)26-8-13(22)20-11-6-9(17)4-5-12(11)24-2/h4-7H,3,8H2,1-2H3,(H,20,22)(H2,18,19,21)InChIKey
XSTVZIVTXCNMBT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=CC(=C2)Cl)OC
ethyl4amino2((2((5chloro2methoxyphenyl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ETHYL4AMINO2(2(5CHLORO2METHOXYANILINO)2OXOETHYL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC16H17ClN4O4Sc132515(23)1071916(2114(10)18)26813(22)201169(17)4512(11)242h47H38H212H3(H2022)(H2181921)
MFCD06626355
ZINC000002876455
ZINC02876455
ZINC2876455
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