Vitas-M small molecule compound
2,6-dioxo-5-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL059050
SMILES O=C1NC(=O)N=C(C1/C=C/1\C=CC=CC1=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 C11H7N2O4 MW 231.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N2O4/c14-8-4-2-1-3-6(8)5-7-9(15)12-11(17)13-10(7)16/h1-5,7H,(H2,12,13,15,16,17)/p-1/b6-5+InChIKey
AVRFBBWDPAHCPV-AATRIKPKSA-MSynonyms
(5R)46DIOXO5((E)(6OXOCYCLOHEXA24DIEN1YLIDENE)METHYL)1HPYRIMIDIN2OLATE
26dioxo5((E)(6oxocyclohexa24dien1ylidene)methyl)1256tetrahydropyrimidin4olate
46DIOXO5((E)(6OXOCYCLOHEXA24DIEN1YLIDENE)METHYL)1HPYRIMIDIN2OLATE
ammonium(SE)26dioxo5((6oxocyclohexa24dien1ylidene)methyl)1256tetrahydropyrimidin4olate
C1=CC(=CC2C(=O)NC(=NC2=O)(O))C(=O)C=C1
InChI=1SC11H8N2O4c14842136(8)579(15)1211(17)1310(7)16h157H(H21213151617)p1b65+
O=C1NC(=O)N=C((C@@H)1C=C1C=CC=CC1=O)(O)(NH4+)
O=C1NC(=O)N=C(C1C=C1C=CC=CC1=O)(O)
ZINC000100472274
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