Vitas-M small molecule compound

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

Catalog ID
STK558068
SMILES CCC(Nc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-])C

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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 C13H18N6O3 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N6O3/c1-3-8(2)16-13-17-11(14)10(19(20)21)12(18-13)15-7-9-5-4-6-22-9/h4-6,8H,3,7H2,1-2H3,(H4,14,15,16,17,18)
InChIKey
SSOQKBNOMLUIQC-UHFFFAOYSA-N
Synonyms
578723-68-9
2NBUTAN2YL4N(FURAN2YLMETHYL)5NITROPYRIMIDINE246TRIAMINE
578723689
CCC(C)NC1=NC(=C(C(=N1)NCC2=CC=CO2)(N+)(=O)(O))N
CCC(Nc1nc(NCc2ccco2)c(c(n1)N)(N+)(=O)(O))C
InChI=1SC13H18N6O3c138(2)16131711(14)10(19(20)21)12(1813)1579546229h468H37H212H3(H41415161718)
MFCD04029866
N~2~(butan2yl)N~4~(furan2ylmethyl)5nitropyrimidine246triamine
N2(BUTAN2YL)N4(FURAN2YLMETHYL)5NITROPYRIMIDINE246TRIAMINE
N2(secbutyl)N4(furan2ylmethyl)5nitropyrimidine246triamine
ZINC000005051343
ZINC000005051350

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Available files

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