Vitas-M small molecule compound

N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine

Catalog ID
STK557951
SMILES Clc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)[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 C18H17ClN6O2 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN6O2/c19-14-8-6-13(7-9-14)11-22-18-23-16(20)15(25(26)27)17(24-18)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H4,20,21,22,23,24)
InChIKey
KHYJMVTVXVALEC-UHFFFAOYSA-N
Synonyms
577964-10-4
(6AMINO2(((4CHLOROPHENYL)METHYL)AMINO)5NITROPYRIMIDIN4YL)BENZYLAMINE
4NBENZYL2N((4CHLOROPHENYL)METHYL)5NITROPYRIMIDINE246TRIAMINE
577964104
C1=CC=C(C=C1)CNC2=NC(=NC(=C2(N+)(=O)(O))N)NCC3=CC=C(C=C3)Cl
Clc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC18H17ClN6O2c19148613(7914)1122182316(20)15(25(26)27)17(2418)2110124213512h19H1011H2(H42021222324)
MFCD03491770
N~4~benzylN~2~(4chlorobenzyl)5nitropyrimidine246triamine
N4BENZYLN2(4CHLOROBENZYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000005050847
ZINC05050847
ZINC5050847

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Available files

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