Vitas-M small molecule compound
1,3-dimethyl-2,6-dioxo-5-(1,2,3,4-tetrahydroisoquinolinium-1-ylacetyl)-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK299138
SMILES O=C(c1c([O-])n(C)c(=O)n(c1=O)C)CC1[NH2+]CCc2c1cccc2
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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 C17H19N3O4 MW 329.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4/c1-19-15(22)14(16(23)20(2)17(19)24)13(21)9-12-11-6-4-3-5-10(11)7-8-18-12/h3-6,12,18,22H,7-9H2,1-2H3InChIKey
XOMMDQBMIZAHLS-UHFFFAOYSA-NSynonyms
858747-94-113dimethyl26dioxo5(1234tetrahydroisoquinolinium1ylacetyl)1236tetrahydropyrimidin4olate
13dimethyl26dioxo5(2(1234tetrahydroisoquinolin2ium1yl)acetyl)pyrimidin4olate
CN1C(=C(C(=O)N(C1=O)C)C(=O)CC2C3=CC=CC=C3CC(NH2+)2)(O)
InChI=1SC17H19N3O4c11915(22)14(16(23)20(2)17(19)24)13(21)91211643510(11)781812h36121822H79H212H3
O=C(c1c((O))n(C)c(=O)n(c1=O)C)CC1(NH2+)CCc2c1cccc2
ZINC000020028338
ZINC000020028339
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