Vitas-M small molecule compound
methyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
Catalog ID
STK944484
SMILES COC(=O)c1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N
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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 C12H11N5O4 MW 289.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O4/c1-21-12(18)7-2-4-8(5-3-7)16-11-9(17(19)20)10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)InChIKey
CQLXMTMGTPOZIR-UHFFFAOYSA-NSynonyms
450345-15-0450345150
COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2(N+)(=O)(O))N
COC(=O)c1ccc(cc1)Nc1ncnc(c1(N+)(=O)(O))N
InChI=1SC12H11N5O4c12112(18)7248(537)16119(17(19)20)10(13)1461511h26H1H3(H313141516)
methyl4((6amino5nitropyrimidin4yl)amino)benzoate
MFCD04453074
ZINC000003912563
ZINC03912563
ZINC3912563
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