Vitas-M small molecule compound

1-benzyl-2-(4-nitrophenyl)hexahydropyrimidine

Catalog ID
STK321233
SMILES [O-][N+](=O)c1ccc(cc1)C1NCCCN1Cc1ccccc1

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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 C17H19N3O2 MW 297.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2/c21-20(22)16-9-7-15(8-10-16)17-18-11-4-12-19(17)13-14-5-2-1-3-6-14/h1-3,5-10,17-18H,4,11-13H2
InChIKey
JSDHCEQSDXLMIB-UHFFFAOYSA-N
Synonyms
(O)(N+)(=O)c1ccc(cc1)C1NCCCN1Cc1ccccc1
1BENZYL2(4NITROPHENYL)13DIAZINANE
1BENZYL2(4NITROPHENYL)HEXAHYDROPYRIMIDINE
C1CNC(N(C1)CC2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
Registry IDs
MFCD03827602
ZINC000019320991
ZINC000019324402

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Available files

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