Vitas-M small molecule compound

5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine

Catalog ID
STK944319
SMILES [O-][N+](=O)c1c(NCCc2ccccc2)ncnc1N

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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 C12H13N5O2 MW 259.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O2/c13-11-10(17(18)19)12(16-8-15-11)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)
InChIKey
SIARGSJQSRUOFI-UHFFFAOYSA-N
Synonyms
100115-58-0
(O)(N+)(=O)c1c(NCCc2ccccc2)ncnc1N
100115580
5nitro4N(2phenylethyl)pyrimidine46diamine
5NITRO4NPHENETHYLPYRIMIDINE46DIAMINE
5nitroN(2phenylethyl)pyrimidine46diamine
5NITRON4PHENETHYLPYRIMIDINE46DIAMINE
C1=CC=C(C=C1)CCNC2=NC=NC(=C2(N+)(=O)(O))N
InChI=1SC12H13N5O2c131110(17(18)19)12(1681511)14769421359h158H67H2(H313141516)
MFCD02695169
ZINC000003912531
ZINC03912531
ZINC3912531

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Available files

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