Vitas-M small molecule compound
benzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK014517
SMILES COc1cc(cc(c1O)Cl)C1NC(=O)N(C(=C1C(=O)OCc1ccccc1)C)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 C21H21ClN2O5 MW 416.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5/c1-12-17(20(26)29-11-13-7-5-4-6-8-13)18(23-21(27)24(12)2)14-9-15(22)19(25)16(10-14)28-3/h4-10,18,25H,11H2,1-3H3,(H,23,27)InChIKey
SISFEVBSXFQDLW-UHFFFAOYSA-NSynonyms
benzyl4(3chloro4hydroxy5methoxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
BENZYL6(3CHLORO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCC3=CC=CC=C3
COc1cc(cc(c1O)Cl)C1NC(=O)N(C(=C1C(=O)OCc1ccccc1)C)C
InChI=1SC21H21ClN2O5c11217(20(26)2911137546813)18(2321(27)24(12)2)14915(22)19(25)16(1014)283h4101825H11H213H3(H2327)
MFCD00785448
PHENYLMETHYL6(3CHLORO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
STK014517
ZINC000000885754
ZINC000000885756
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