Vitas-M small molecule compound
4-methoxybenzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK402675
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(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 C21H21ClN2O6 MW 432.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O6/c1-11-17(20(26)30-10-12-4-6-14(28-2)7-5-12)18(24-21(27)23-11)13-8-15(22)19(25)16(9-13)29-3/h4-9,18,25H,10H2,1-3H3,(H2,23,24,27)InChIKey
VSPNKNNRXKIFLM-UHFFFAOYSA-NSynonyms
(4METHOXYPHENYL)METHYL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
(4METHOXYPHENYL)METHYL6(3CHLORO4HYDROXY5METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
4methoxybenzyl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCC3=CC=C(C=C3)OC
InChI=1SC21H21ClN2O6c11117(20(26)3010124614(282)7512)18(2421(27)2311)13815(22)19(25)16(913)293h491825H10H213H3(H2232427)
MFCD01192526
ZINC000000706355
ZINC000000706356
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