Vitas-M small molecule compound

N~2~-(4-chlorobenzyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STK858805
SMILES CC1OC(C)CN(C1)c1nc(NCc2ccc(cc2)Cl)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 C17H21ClN6O3 MW 392.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN6O3/c1-10-8-23(9-11(2)27-10)16-14(24(25)26)15(19)21-17(22-16)20-7-12-3-5-13(18)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H3,19,20,21,22)
InChIKey
FNWFHUGYTWXRGK-UHFFFAOYSA-N
Synonyms
716332-85-3
(4AMINO6(26DIMETHYLMORPHOLIN4YL)5NITROPYRIMIDIN2YL)((4CHLOROPHENYL)METHYL)AMINE
2N((4CHLOROPHENYL)METHYL)6(26DIMETHYLMORPHOLIN4YL)5NITROPYRIMIDINE24DIAMINE
716332853
CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)(N+)(=O)(O)
CC1OC(C)CN(C1)c1nc(NCc2ccc(cc2)Cl)nc(c1(N+)(=O)(O))N
InChI=1SC17H21ClN6O3c110823(911(2)2710)1614(24(25)26)15(19)2117(2216)207123513(18)6412h361011H79H212H3(H319202122)
MFCD05691606
N~2~(4chlorobenzyl)6(26dimethylmorpholin4yl)5nitropyrimidine24diamine
N2(4CHLOROBENZYL)6(26DIMETHYLMORPHOLIN4YL)5NITROPYRIMIDINE24DIAMINE
N2(4CHLOROBENZYL)6(26DIMETHYLMORPHOLINO)5NITROPYRIMIDINE24DIAMINE
ZINC000005253082
ZINC000013807314

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Available files

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