Vitas-M small molecule compound
ethyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK363265
SMILES CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1[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 C16H17N3O7 MW 363.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O7/c1-4-24-15(20)13-8(2)18(3)16(21)17-14(13)9-5-11-12(26-7-25-11)6-10(9)19(22)23/h5-6,14H,4,7H2,1-3H3,(H,17,21)InChIKey
RWPZEPUIXXJECQ-UHFFFAOYSA-NSynonyms
301320-01-4301320014
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1(N+)(=O)(O)
CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2(N+)(=O)(O))OCO3)C)C
ethyl16dimethyl4(6nitro13benzodioxol5yl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL34DIMETHYL6(6NITRO13BENZODIOXOL5YL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC16H17N3O7c142415(20)138(2)18(3)16(21)1714(13)951112(2672511)610(9)19(22)23h5614H47H213H3(H1721)
MFCD00718134
ZINC000000842279
ZINC000000842280
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