Vitas-M small molecule compound
cyclooctyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK364003
SMILES COc1cc(cc(c1O)Cl)C1NC(=O)NC(=C1C(=O)OC1CCCCCCC1)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 C21H27ClN2O5 MW 422.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN2O5/c1-12-17(20(26)29-14-8-6-4-3-5-7-9-14)18(24-21(27)23-12)13-10-15(22)19(25)16(11-13)28-2/h10-11,14,18,25H,3-9H2,1-2H3,(H2,23,24,27)InChIKey
XTOCBSAOKDIBAF-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC3CCCCCCC3
cyclooctyl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOOCTYL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CYCLOOCTYL6(3CHLORO4HYDROXY5METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H27ClN2O5c11217(20(26)2914864357914)18(2421(27)2312)131015(22)19(25)16(1113)282h1011141825H39H212H3(H2232427)
MFCD01193542
ZINC000000716281
ZINC000000716283
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