Vitas-M small molecule compound
ethyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
Catalog ID
STK944498
SMILES CCOC(=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 C13H13N5O4 MW 303.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O4/c1-2-22-13(19)8-3-5-9(6-4-8)17-12-10(18(20)21)11(14)15-7-16-12/h3-7H,2H2,1H3,(H3,14,15,16,17)InChIKey
GKAQGPLSZZASHV-UHFFFAOYSA-NSynonyms
450345-16-1450345161
CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2(N+)(=O)(O))N
CCOC(=O)c1ccc(cc1)Nc1ncnc(c1(N+)(=O)(O))N
ethyl4((6amino5nitropyrimidin4yl)amino)benzoate
InChI=1SC13H13N5O4c122213(19)8359(648)171210(18(20)21)11(14)1571612h37H2H21H3(H314151617)
MFCD04453075
ZINC000003912565
ZINC03912565
ZINC3912565
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