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Vitas-M small molecule compound

6-(4-benzylpiperazin-1-yl)-N~2~-(butan-2-yl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STL340723
SMILES CCC(Nc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

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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 C19H27N7O2 MW 385.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N7O2/c1-3-14(2)21-19-22-17(20)16(26(27)28)18(23-19)25-11-9-24(10-12-25)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H3,20,21,22,23)
InChIKey
BHLOVQVBORLQOT-UHFFFAOYSA-N
Synonyms
577986-30-2
577986302
6(4BENZYLPIPERAZIN1YL)2NBUTAN2YL5NITROPYRIMIDINE24DIAMINE
6(4benzylpiperazin1yl)N~2~(butan2yl)5nitropyrimidine24diamine
6(4BENZYLPIPERAZIN1YL)N2(1METHYLPROPYL)5NITROPYRIMIDINE24DIAMINE
6(4BENZYLPIPERAZIN1YL)N2(BUTAN2YL)5NITROPYRIMIDINE24DIAMINE
6(4benzylpiperazin1yl)N2(secbutyl)5nitropyrimidine24diamine
CCC(C)NC1=NC(=C(C(=N1)N)(N+)(=O)(O))N2CCN(CC2)CC3=CC=CC=C3
CCC(Nc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)(N+)(=O)(O))C
InChI=1SC19H27N7O2c1314(2)21192217(20)16(26(27)28)18(2319)2511924(101225)13157546815h4814H3913H212H3(H320212223)
MFCD04021848
ZINC000061921244
ZINC000061921245

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Available files

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