Vitas-M small molecule compound
dibenzyl 4-(1-acetyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole-3,5-dicarboxylate 2-oxide
Catalog ID
STK386917
SMILES O=C(C1O[N+](=C(C1c1cn(c2c1cccc2)C(=O)C)C(=O)OCc1ccccc1)[O-])OCc1ccccc1
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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 C29H24N2O7 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7/c1-19(32)30-16-23(22-14-8-9-15-24(22)30)25-26(28(33)36-17-20-10-4-2-5-11-20)31(35)38-27(25)29(34)37-18-21-12-6-3-7-13-21/h2-16,25,27H,17-18H2,1H3InChIKey
YMRVQRGFJXVHDX-UHFFFAOYSA-NSynonyms
CC(=O)N1C=C(C2=CC=CC=C21)C3C(O(N+)(=C3C(=O)OCC4=CC=CC=C4)(O))C(=O)OCC5=CC=CC=C5
DIBENZYL4(1ACETYL1HINDOL3YL)45DIHYDRO12OXAZOLE35DICARBOXYLATE2OXIDE
DIBENZYL4(1ACETYLINDOL3YL)2OXIDO45DIHYDRO12OXAZOL2IUM35DICARBOXYLATE
InChI=1SC29H24N2O7c119(32)301623(2214891524(22)30)2526(28(33)361720104251120)31(35)3827(25)29(34)371821126371321h2162527H1718H21H3
MFCD00306771
O=C(C1O(N+)(=C(C1c1cn(c2c1cccc2)C(=O)C)C(=O)OCc1ccccc1)(O))OCc1ccccc1
PHENYLMETHYL4(1ACETYLINDOL3YL)2HYDROXY3(BENZYLOXYCARBONYL)45DIHYDROISOXAZOLE5CARBOXYLATE
ZINC000003142899
ZINC000003142902
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