Vitas-M small molecule compound
benzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK044542
SMILES COc1cc(cc(c1O)Cl)C1NC(=O)NC(=C1C(=O)OCc1ccccc1)C
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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 C20H19ClN2O5 MW 402.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O5/c1-11-16(19(25)28-10-12-6-4-3-5-7-12)17(23-20(26)22-11)13-8-14(21)18(24)15(9-13)27-2/h3-9,17,24H,10H2,1-2H3,(H2,22,23,26)InChIKey
HLYYJMLLBVYGGK-UHFFFAOYSA-NSynonyms
306751-60-0306751600
benzyl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
BENZYL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCC3=CC=CC=C3
COc1cc(cc(c1O)Cl)C1NC(=O)NC(=C1C(=O)OCc1ccccc1)C
InChI=1SC20H19ClN2O5c11116(19(25)2810126435712)17(2320(26)2211)13814(21)18(24)15(913)272h391724H10H212H3(H2222326)
MFCD01192895
STK044542
ZINC000006681953
ZINC000006681954
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