Vitas-M small molecule compound

1,3-dibenzyl-2-(3-nitrophenyl)hexahydropyrimidine

Catalog ID
STK663460
SMILES [O-][N+](=O)c1cccc(c1)C1N(CCCN1Cc1ccccc1)Cc1ccccc1

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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 C24H25N3O2 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O2/c28-27(29)23-14-7-13-22(17-23)24-25(18-20-9-3-1-4-10-20)15-8-16-26(24)19-21-11-5-2-6-12-21/h1-7,9-14,17,24H,8,15-16,18-19H2
InChIKey
SMDKXZCYBNATBE-UHFFFAOYSA-N
Synonyms
(O)(N+)(=O)c1cccc(c1)C1N(CCCN1Cc1ccccc1)Cc1ccccc1
13BISBENZYL2(3NITROPHENYL)13DIAZAPERHYDROINE
13DIBENZYL2(3NITROPHENYL)13DIAZINANE
13dibenzyl2(3nitrophenyl)hexahydropyrimidine
C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC(=CC=C3)(N+)(=O)(O))CC4=CC=CC=C4
Registry IDs
MFCD03164654
ZINC000096523229
ZINC96523229

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Available files

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