Vitas-M small molecule compound
(2E)-6-(4-benzylpiperazin-1-yl)-2-[(3-chlorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Catalog ID
STL050923
SMILES Clc1cccc(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 C21H22ClN7O2 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN7O2/c22-16-7-4-8-17(13-16)24-21-25-19(23)18(29(30)31)20(26-21)28-11-9-27(10-12-28)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H3,23,24,25,26)InChIKey
INLKNWRPBGUODR-UHFFFAOYSA-NSynonyms
714921-56-9(2E)6(4benzylpiperazin1yl)2((3chlorophenyl)imino)5nitro12dihydropyrimidin4amine
6(4BENZYLPIPERAZIN1YL)2N(3CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
6(4BENZYLPIPERAZIN1YL)N2(3CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
714921569
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NC4=CC(=CC=C4)Cl)N)(N+)(=O)(O)
Clc1cccc(c1)N=c1nc(N)c(c((nH)1)N1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
InChI=1SC21H22ClN7O2c221674817(1316)24212519(23)18(29(30)31)20(2621)2811927(101228)14155213615h1813H91214H2(H323242526)
MFCD05733272
ZINC000095346117
ZINC95346117
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