Vitas-M small molecule compound
2,2,2-trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK085335
SMILES O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)C(=O)OCC(Cl)(Cl)Cl)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 C15H13Cl3N2O5 MW 407.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13Cl3N2O5/c1-7-11(13(21)23-5-15(16,17)18)12(20-14(22)19-7)8-2-3-9-10(4-8)25-6-24-9/h2-4,12H,5-6H2,1H3,(H2,19,20,22)InChIKey
XRLZKDZVYAVWNB-UHFFFAOYSA-NSynonyms
222trichloroethyl4(13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
222TRICHLOROETHYL4(13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
222TRICHLOROETHYL6(2HBENZO(34D)13DIOXOLAN5YL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(Cl)(Cl)Cl
InChI=1SC15H13Cl3N2O5c1711(13(21)23515(1617)18)12(2014(22)197)823910(48)256249h2412H56H21H3(H2192022)
MFCD01193248
O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)C(=O)OCC(Cl)(Cl)Cl)C
STK085335
ZINC000001190425
ZINC000001190428
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