Vitas-M small molecule compound
1,3-dibenzyl-2-(4,5-dimethoxy-2-nitrophenyl)hexahydropyrimidine
Catalog ID
STK663441
SMILES COc1cc(C2N(CCCN2Cc2ccccc2)Cc2ccccc2)c(cc1OC)[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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-32-24-16-22(23(29(30)31)17-25(24)33-2)26-27(18-20-10-5-3-6-11-20)14-9-15-28(26)19-21-12-7-4-8-13-21/h3-8,10-13,16-17,26H,9,14-15,18-19H2,1-2H3InChIKey
ZRJGICKELPOGJE-UHFFFAOYSA-NSynonyms
13DIBENZYL2(45DIMETHOXY2NITROPHENYL)13DIAZINANE
13dibenzyl2(45dimethoxy2nitrophenyl)hexahydropyrimidine
COC1=C(C=C(C(=C1)C2N(CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)(N+)(=O)(O))OC
COc1cc(C2N(CCCN2Cc2ccccc2)Cc2ccccc2)c(cc1OC)(N+)(=O)(O)
InChI=1SC26H29N3O4c132241622(23(29(30)31)1725(24)332)2627(1820105361120)1491528(26)1921127481321h381013161726H914151819H212H3
MFCD02933865
ZINC000096523225
ZINC96523225
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