Vitas-M small molecule compound
2-phenoxyethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK402382
SMILES COc1cc(cc(c1O)Cl)C1NC(=O)NC(=C1C(=O)OCCOc1ccccc1)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 C21H21ClN2O6 MW 432.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O6/c1-12-17(20(26)30-9-8-29-14-6-4-3-5-7-14)18(24-21(27)23-12)13-10-15(22)19(25)16(11-13)28-2/h3-7,10-11,18,25H,8-9H2,1-2H3,(H2,23,24,27)InChIKey
KCGJPQIGKYTZQW-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2PHENOXYETHYL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2PHENOXYETHYL6(3CHLORO4HYDROXY5METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCCOC3=CC=CC=C3
InChI=1SC21H21ClN2O6c11217(20(26)309829146435714)18(2421(27)2312)131015(22)19(25)16(1113)282h3710111825H89H212H3(H2232427)
MFCD01193414
ZINC000008781323
ZINC000012416468
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