Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK944317
SMILES [O-][N+](=O)c1c(ncnc1N)NCc1ccc2c(c1)OCO2
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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/c13-11-10(17(18)19)12(16-5-15-11)14-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H3,13,14,15,16)InChIKey
DHIMGCWQXMNGAI-UHFFFAOYSA-NSynonyms
450344-90-8(O)(N+)(=O)c1c(ncnc1N)NCc1ccc2c(c1)OCO2
450344908
4N(13BENZODIOXOL5YLMETHYL)5NITROPYRIMIDINE46DIAMINE
C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3(N+)(=O)(O))N
InChI=1SC12H11N5O4c131110(17(18)19)12(1651511)14471289(37)216208h135H46H2(H313141516)
MFCD04453039
N(13benzodioxol5ylmethyl)5nitropyrimidine46diamine
N4(BENZO(D)(13)DIOXOL5YLMETHYL)5NITROPYRIMIDINE46DIAMINE
ZINC000003912522
ZINC03912522
ZINC3912522
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