Vitas-M small molecule compound

2-({6-amino-2-[(3-methylphenyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol

Catalog ID
STK558349
SMILES OCCNc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

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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 C13H16N6O3 MW 304.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N6O3/c1-8-3-2-4-9(7-8)16-13-17-11(14)10(19(21)22)12(18-13)15-5-6-20/h2-4,7,20H,5-6H2,1H3,(H4,14,15,16,17,18)
InChIKey
SULPMJJSBUTHBD-UHFFFAOYSA-N
Synonyms
578734-13-1
2((6AMINO2((3METHYLPHENYL)AMINO)5NITROPYRIMIDIN4YL)AMINO)ETHAN1OL
2((6amino2((3methylphenyl)amino)5nitropyrimidin4yl)amino)ethanol
2((6AMINO2(3METHYLANILINO)5NITRO4PYRIMIDINYL)AMINO)ETHANOL
2((6AMINO2(3METHYLANILINO)5NITROPYRIMIDIN4YL)AMINO)ETHANOL
2((6AMINO2(MTOLUIDINO)5NITROPYRIMIDIN4YL)AMINO)ETHANOL
2((6amino5nitro2(mtolylamino)pyrimidin4yl)amino)ethanol
2((6AZANYL2((3METHYLPHENYL)AMINO)5NITROPYRIMIDIN4YL)AMINO)ETHANOL
2(6AMINO5NITRO2MTOLYLAMINOPYRIMIDIN4YLAMINO)ETHANOL
578734131
CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NCCO)(N+)(=O)(O))N
InChI=1SC13H16N6O3c183249(78)16131711(14)10(19(21)22)12(1813)155620h24720H56H21H3(H41415161718)
MFCD04031604
OCCNc1nc(Nc2cccc(c2)C)nc(c1(N+)(=O)(O))N
ZINC000005112115
ZINC05112115
ZINC5112115

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.