Vitas-M small molecule compound

ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate

Catalog ID
STK203411
SMILES CCOC(=O)CCc1c(C)nc([nH]c1=O)NC(=N)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 C18H22ClN5O4 MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN5O4/c1-4-28-15(25)8-6-12-10(2)21-18(23-16(12)26)24-17(20)22-13-9-11(19)5-7-14(13)27-3/h5,7,9H,4,6,8H2,1-3H3,(H4,20,21,22,23,24,26)
InChIKey
YQONOIQZJOHZIW-UHFFFAOYSA-N
Synonyms
827003-41-8
827003418
CCOC(=O)CCC1=C(NC(=NC1=O)N=C(N)NC2=C(C=CC(=C2)Cl)OC)C
CCOC(=O)CCc1c(C)nc((nH)c1=O)NC(=N)Nc1cc(Cl)ccc1OC
ETHYL3(2((((5CHLORO2METHOXYPHENYL)AMINO)IMINOMETHYL)AMINO)6METHYL4OXO3HYDROPYRIMIDIN5YL)PROPANOATE
ETHYL3(2((AMINO(5CHLORO2METHOXYANILINO)METHYLIDENE)AMINO)6METHYL4OXO1HPYRIMIDIN5YL)PROPANOATE
ethyl3(2((E)(amino(5chloro2methoxyanilino)methylidene)amino)6methyl4oxo1Hpyrimidin5yl)propanoate
ethyl3(2(3(5chloro2methoxyphenyl)guanidino)4methyl6oxo16dihydropyrimidin5yl)propanoate
ethyl3(2(N(5chloro2methoxyphenyl)carbamimidamido)4methyl6oxo16dihydropyrimidin5yl)propanoate
InChI=1SC18H22ClN5O4c142815(25)861210(2)2118(2316(12)26)2417(20)2213911(19)5714(13)273h579H468H213H3(H4202122232426)
MFCD06650045
ZINC16995452

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.