Vitas-M small molecule compound
5-(7-chloro-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK724709
SMILES Clc1ccc2c(c1)C(c1c([O-])n(C)c(=O)n(c1=O)C)c1c(O2)n(C)c(=O)n(c1=O)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 C19H16ClN4O6 MW 431.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O6/c1-21-14(25)12(15(26)22(2)18(21)28)11-9-7-8(20)5-6-10(9)30-17-13(11)16(27)23(3)19(29)24(17)4/h5-7,11,25H,1-4H3/p-1InChIKey
JRLGUSYBRODHEA-UHFFFAOYSA-MSynonyms
5(7chloro13dimethyl24dioxo1345tetrahydro2Hchromeno(23d)pyrimidin5yl)13dimethyl26dioxo1236tetrahydropyrimidin4olate
5(7chloro13dimethyl24dioxo5Hchromeno(23d)pyrimidin5yl)13dimethyl26dioxopyrimidin4olate
ammonium5(7chloro13dimethyl24dioxo2345tetrahydro1Hchromeno(23d)pyrimidin5yl)13dimethyl26dioxo1236tetrahydropyrimidin4olate
Clc1ccc2c(c1)C(c1c((O))n(C)c(=O)n(c1=O)C)c1c(O2)n(C)c(=O)n(c1=O)C
Clc1ccc2c(c1)C(c1c((O))n(C)c(=O)n(c1=O)C)c1c(O2)n(C)c(=O)n(c1=O)C(NH4+)
CN1C(=C(C(=O)N(C1=O)C)C2C3=C(C=CC(=C3)Cl)OC4=C2C(=O)N(C(=O)N4C)C)(O)
InChI=1SC19H17ClN4O6c12114(25)12(15(26)22(2)18(21)28)11978(20)5610(9)301713(11)16(27)23(3)19(29)24(17)4h571125H14H3p1
ZINC000009027563
ZINC000009027565
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