Vitas-M small molecule compound
2-cyanoethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK363534
SMILES N#CCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)OC)O
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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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-9-13(15(21)24-7-3-6-17)14(19-16(22)18-9)10-4-5-11(20)12(8-10)23-2/h4-5,8,14,20H,3,7H2,1-2H3,(H2,18,19,22)InChIKey
FEDVIIGBGKIRDP-UHFFFAOYSA-NSynonyms
2cyanoethyl4(4hydroxy3methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2CYANOETHYL4(4HYDROXY3METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2CYANOETHYL6(4HYDROXY3METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCCC#N
InChI=1SC16H17N3O5c1913(15(21)2473617)14(1916(22)189)104511(20)12(810)232h4581420H37H212H3(H2181922)
MFCD01193730
ZINC000004113740
ZINC000004113741
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