Vitas-M small molecule compound
1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)hexahydropyrimidine
Catalog ID
STK664221
SMILES [O-][N+](=O)c1cc2OCOc2cc1C1N(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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c29-28(30)22-15-24-23(31-18-32-24)14-21(22)25-26(16-19-8-3-1-4-9-19)12-7-13-27(25)17-20-10-5-2-6-11-20/h1-6,8-11,14-15,25H,7,12-13,16-18H2InChIKey
FZTVVKPNQZSUBU-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2OCOc2cc1C1N(CCCN1Cc1ccccc1)Cc1ccccc1
13DIBENZYL2(6NITRO13BENZODIOXOL5YL)13DIAZINANE
13dibenzyl2(6nitro13benzodioxol5yl)hexahydropyrimidine
C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)CC5=CC=CC=C5
InChI=1SC25H25N3O4c2928(30)22152423(31183224)1421(22)2526(16198314919)1271327(25)1720105261120h16811141525H712131618H2
MFCD02625879
ZINC000019323851
ZINC19323851
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