Vitas-M small molecule compound
(2Z)-6-(azepan-1-yl)-2-[(3-methylphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Catalog ID
STK569801
SMILES Cc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)N1CCCCCC1)[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 C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c1-12-7-6-8-13(11-12)19-17-20-15(18)14(23(24)25)16(21-17)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H3,18,19,20,21)InChIKey
MVDQICWILMOHPI-UHFFFAOYSA-NSynonyms
714943-46-1(2Z)6(azepan1yl)2((3methylphenyl)imino)5nitro12dihydropyrimidin4amine
(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(3METHYLPHENYL)AMINE
6(AZEPAN1YL)2N(3METHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
6(AZEPAN1YL)N2(3METHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
Cc1cccc(c1)N=c1nc(N)c(c((nH)1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H22N6O2c11276813(1112)19172015(18)14(23(24)25)16(2117)22942351022h6811H25910H21H3(H318192021)
MFCD05736912
ZINC000009328471
ZINC09328471
ZINC9328471
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