Vitas-M small molecule compound
methyl 6-(azepan-1-ylmethyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107513
SMILES CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OC)CN1CCCCCC1
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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 C21H29N3O5 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O5/c1-3-29-17-12-14(8-9-16(17)25)19-18(20(26)28-2)15(22-21(27)23-19)13-24-10-6-4-5-7-11-24/h8-9,12,19,25H,3-7,10-11,13H2,1-2H3,(H2,22,23,27)InChIKey
LWWDKJOMCORCBH-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OC)O
InChI=1SC21H29N3O5c1329171214(8916(17)25)1918(20(26)282)15(2221(27)2319)13241064571124h89121925H37101113H212H3(H2222327)
methyl6(azepan1ylmethyl)4(3ethoxy4hydroxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6(azepan1ylmethyl)4(3ethoxy4hydroxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD20741461
ZINC000067285648
ZINC000067285651
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Check stock on Vitas-MAvailable files
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