Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK556575
SMILES Cc1ccc(cc1)CNc1nc(N)c(c(n1)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 C18H24N6O2 MW 356.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O2/c1-13-6-8-14(9-7-13)12-20-18-21-16(19)15(24(25)26)17(22-18)23-10-4-2-3-5-11-23/h6-9H,2-5,10-12H2,1H3,(H3,19,20,21,22)InChIKey
TWNLISWZKPMNRH-UHFFFAOYSA-NSynonyms
577764-98-8577764988
6(AZEPAN1YL)2N((4METHYLPHENYL)METHYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(4methylbenzyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(4METHYLBENZYL)5NITROPYRIMIDINE24DIAMINE
6AZEPAN1YLN2(4METHYLBENZYL)5NITROPYRIMIDINE24DIAMINE
CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC18H24N6O2c1136814(9713)1220182116(19)15(24(25)26)17(2218)231042351123h69H251012H21H3(H319202122)
MFCD04018974
ZINC000005030568
ZINC05030568
ZINC5030568
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