Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Catalog ID
STK554976
SMILES [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)N1CCN(CC1)Cc1ccccc1
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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 C20H27N7O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O3/c21-18-17(27(28)29)19(22-13-16-7-4-12-30-16)24-20(23-18)26-10-8-25(9-11-26)14-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H3,21,22,23,24)InChIKey
GESAMZKFYPTQDZ-UHFFFAOYSA-NSynonyms
674814-88-1(6AMINO5NITRO2(4BENZYLPIPERAZINYL)PYRIMIDIN4YL)(OXOLAN2YLMETHYL)AMINE
(O)(N+)(=O)c1c(N)nc(nc1NCC1CCCO1)N1CCN(CC1)Cc1ccccc1
2(4BENZYLPIPERAZIN1YL)5NITRO4N(OXOLAN2YLMETHYL)PYRIMIDINE46DIAMINE
2(4benzylpiperazin1yl)5nitroN(tetrahydrofuran2ylmethyl)pyrimidine46diamine
2(4benzylpiperazin1yl)5nitroN4((tetrahydrofuran2yl)methyl)pyrimidine46diamine
674814881
C1CC(OC1)CNC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC20H27N7O3c211817(27(28)29)19(22131674123016)2420(2318)2610825(91126)14155213615h135616H4714H2(H321222324)
MFCD04008004
ZINC000020266384
ZINC000020266388
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