Vitas-M small molecule compound

N~4~-(2,5-dimethoxyphenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine

Catalog ID
STK858816
SMILES COc1ccc(cc1Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N)OC

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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 C17H18N6O5 MW 386.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O5/c1-26-10-5-6-13(27-2)12(8-10)20-16-14(23(24)25)15(18)21-17(22-16)19-9-11-4-3-7-28-11/h3-8H,9H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
CERQKXHPAHSFOU-UHFFFAOYSA-N
Synonyms
714241-04-0
(4AMINO6(25DIMETHOXYANILINO)5NITROPYRIMIDIN2YL)(2FURFURYL)AMINE
(6AMINO2((2FURYLMETHYL)AMINO)5NITROPYRIMIDIN4YL)(25DIMETHOXYPHENYL)AMINE
4N(25DIMETHOXYPHENYL)2N(FURAN2YLMETHYL)5NITROPYRIMIDINE246TRIAMINE
714241040
COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2(N+)(=O)(O))N)NCC3=CC=CO3
InChI=1SC17H18N6O5c126105613(272)12(810)201614(23(24)25)15(18)2117(2216)199114372811h38H9H212H3(H41819202122)
MFCD04168468
N(25DIMETHOXYPHENYL)NFURAN2YLMETHYL5NITROPYRIMIDINE246TRIAMINE
N~4~(25dimethoxyphenyl)N~2~(furan2ylmethyl)5nitropyrimidine246triamine
N4(25DIMETHOXYPHENYL)N2(2FURANYLMETHYL)5NITROPYRIMIDINE246TRIAMINE
N4(25DIMETHOXYPHENYL)N2(FURAN2YLMETHYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000009281683
ZINC09281683
ZINC9281683

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.