Vitas-M small molecule compound
cycloheptyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK402637
SMILES CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OC1CCCCCC1)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 C21H28N2O5 MW 388.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O5/c1-3-27-17-12-14(10-11-16(17)24)19-18(13(2)22-21(26)23-19)20(25)28-15-8-6-4-5-7-9-15/h10-12,15,19,24H,3-9H2,1-2H3,(H2,22,23,26)InChIKey
YTQISNLMOPNCAU-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3)O
cycloheptyl4(3ethoxy4hydroxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOHEPTYL4(3ETHOXY4HYDROXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC21H28N2O5c1327171214(101116(17)24)1918(13(2)2221(26)2319)20(25)281586457915h1012151924H39H212H3(H2222326)
MFCD01193579
ZINC000001023184
ZINC000001023185
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