Vitas-M small molecule compound
N~2~-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Catalog ID
STL411693
SMILES COc1ccccc1Nc1nc(NCC(c2ccco2)N2CCCC2)nc(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 C21H25N7O4 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O4/c1-31-16-8-3-2-7-14(16)24-20-18(28(29)30)19(22)25-21(26-20)23-13-15(17-9-6-12-32-17)27-10-4-5-11-27/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H4,22,23,24,25,26)InChIKey
BTVBDPANZYBMPH-UHFFFAOYSA-NSynonyms
2N(2(furan2yl)2pyrrolidin1ylethyl)4N(2methoxyphenyl)5nitropyrimidine246triamine
COC1=CC=CC=C1NC2=NC(=NC(=C2(N+)(=O)(O))N)NCC(C3=CC=CO3)N4CCCC4
COc1ccccc1Nc1nc(NCC(c2ccco2)N2CCCC2)nc(c1(N+)(=O)(O))N
InChI=1SC21H25N7O4c13116832714(16)242018(28(29)30)19(22)2521(2620)231315(1796123217)2710451127h23691215H45101113H21H3(H42223242526)
MFCD26101957
N~2~(2(furan2yl)2(pyrrolidin1yl)ethyl)N~4~(2methoxyphenyl)5nitropyrimidine246triamine
N2(2(FURAN2YL)2(PYRROLIDIN1YL)ETHYL)N4(2METHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000035681902
ZINC000035681903
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