Vitas-M small molecule compound
ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK747977
SMILES CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(o1)c1ccc(cc1Cl)[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 C18H16ClN3O6 MW 405.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O6/c1-3-27-17(23)15-9(2)20-18(24)21-16(15)14-7-6-13(28-14)11-5-4-10(22(25)26)8-12(11)19/h4-8,16H,3H2,1-2H3,(H2,20,21,24)InChIKey
LIJXRTANKMRDHA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)C
ethyl4(5(2chloro4nitrophenyl)furan2yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(5(2CHLORO4NITROPHENYL)FURAN2YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC18H16ClN3O6c132717(23)159(2)2018(24)2116(15)147613(2814)115410(22(25)26)812(11)19h4816H3H212H3(H2202124)
MFCD00742649
ZINC000001051788
ZINC000001051792
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