Vitas-M small molecule compound
(2Z)-6-(4-benzylpiperazin-1-yl)-2-[(3-methoxyphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Catalog ID
STL057506
SMILES COc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)N1CCN(CC1)Cc1ccccc1)[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/c1-32-18-9-5-8-17(14-18)24-22-25-20(23)19(29(30)31)21(26-22)28-12-10-27(11-13-28)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H3,23,24,25,26)InChIKey
OBZWXWMBUGEJLR-UHFFFAOYSA-NSynonyms
713085-77-9(2Z)6(4benzylpiperazin1yl)2((3methoxyphenyl)imino)5nitro12dihydropyrimidin4amine
6(4BENZYLPIPERAZIN1YL)2N(3METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
713085779
COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCN(CC3)CC4=CC=CC=C4
COc1cccc(c1)N=c1nc(N)c(c((nH)1)N1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
InChI=1SC22H25N7O3c1321895817(1418)24222520(23)19(29(30)31)21(2622)28121027(111328)15166324716h2914H101315H21H3(H323242526)
MFCD05724566
ZINC000017198575
ZINC17198575
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