Vitas-M small molecule compound
cyclooctyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK019761
SMILES CN1C(=O)NC(C(=C1C)C(=O)OC1CCCCCCC1)c1ccc(cc1)[N+](=O)[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 C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-14-18(20(25)29-17-8-6-4-3-5-7-9-17)19(22-21(26)23(14)2)15-10-12-16(13-11-15)24(27)28/h10-13,17,19H,3-9H2,1-2H3,(H,22,26)InChIKey
LPJAWBAZRGSRIJ-UHFFFAOYSA-NSynonyms
297158-18-0297158180
CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC3CCCCCCC3
CN1C(=O)NC(C(=C1C)C(=O)OC1CCCCCCC1)c1ccc(cc1)(N+)(=O)(O)
cyclooctyl16dimethyl4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
CYCLOOCTYL34DIMETHYL6(4NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H27N3O5c11418(20(25)2917864357917)19(2221(26)23(14)2)15101216(131115)24(27)28h10131719H39H212H3(H2226)
MFCD01988858
STK019761
ZINC000000675208
ZINC000000675211
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