Vitas-M small molecule compound

5-(9-methoxy-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
STL058147
SMILES COc1cccc2c1Oc1c(C2c2c([O-])n(C)c(=O)n(c2=O)C)c(=O)n(c(=O)n1C)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 C20H19N4O7 MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O7/c1-21-15(25)12(16(26)22(2)19(21)28)11-9-7-6-8-10(30-5)14(9)31-18-13(11)17(27)23(3)20(29)24(18)4/h6-8,11,25H,1-5H3/p-1
InChIKey
CFZZMRDTDNGFBC-UHFFFAOYSA-M
Synonyms

5(9methoxy13dimethyl24dioxo1345tetrahydro2Hchromeno(23d)pyrimidin5yl)13dimethyl26dioxo1236tetrahydropyrimidin4olate
5(9METHOXY13DIMETHYL24DIOXO5HCHROMENO(23D)PYRIMIDIN5YL)13DIMETHYL26DIOXOPYRIMIDIN4OLATE
ammonium5(9methoxy13dimethyl24dioxo2345tetrahydro1Hchromeno(23d)pyrimidin5yl)13dimethyl26dioxo1236tetrahydropyrimidin4olate
CN1C(=C(C(=O)N(C1=O)C)C2C3=C(C(=CC=C3)OC)OC4=C2C(=O)N(C(=O)N4C)C)(O)
COc1cccc2c1Oc1c(C2c2c((O))n(C)c(=O)n(c2=O)C)c(=O)n(c(=O)n1C)C
COc1cccc2c1Oc1c(C2c2c((O))n(C)c(=O)n(c2=O)C)c(=O)n(c(=O)n1C)C(NH4+)
InChI=1SC20H20N4O7c12115(25)12(16(26)22(2)19(21)28)11976810(305)14(9)311813(11)17(27)23(3)20(29)24(18)4h681125H15H3p1
ZINC000009087410
ZINC000009087411

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Available files

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