Vitas-M small molecule compound
6-(4-benzylpiperazin-1-yl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK889483
SMILES COc1ccc(cc1)Nc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
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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 C22H25N7O3 MW 435.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O3/c1-32-18-9-7-17(8-10-18)24-22-25-20(23)19(29(30)31)21(26-22)28-13-11-27(12-14-28)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H3,23,24,25,26)InChIKey
LOYYRULNSREEPQ-UHFFFAOYSA-NSynonyms
(4AMINO5NITRO6(4BENZYLPIPERAZINYL)PYRIMIDIN2YL)(4METHOXYPHENYL)AMINE
6(4benzylpiperazin1yl)2N(4methoxyphenyl)5nitropyrimidine24diamine
6(4benzylpiperazin1yl)N~2~(4methoxyphenyl)5nitropyrimidine24diamine
6(4BENZYLPIPERAZIN1YL)N2(4METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCN(CC3)CC4=CC=CC=C4
COc1ccc(cc1)Nc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC22H25N7O3c132189717(81018)24222520(23)19(29(30)31)21(2622)28131127(121428)15165324616h210H1115H21H3(H323242526)
MFCD06650823
ZINC000016757500
ZINC16757500
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