Vitas-M small molecule compound
1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK269305
SMILES Cc1ccc(cc1)C(=O)C(OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])C
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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 C25H18N2O7 MW 458.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7/c1-14-3-5-16(6-4-14)22(28)15(2)34-25(31)17-7-12-20-21(13-17)24(30)26(23(20)29)18-8-10-19(11-9-18)27(32)33/h3-13,15H,1-2H3InChIKey
ZIRNFDOKXLQDOS-UHFFFAOYSA-NSynonyms
(1(4METHYLPHENYL)1OXOPROPAN2YL)2(4NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
1(4methylphenyl)1oxopropan2yl2(4nitrophenyl)13dioxo23dihydro1Hisoindole5carboxylate
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)C(OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC25H18N2O7c1143516(6414)22(28)15(2)3425(31)177122021(1317)24(30)26(23(20)29)1881019(11918)27(32)33h31315H12H3
MFCD02318323
ZINC000009201978
ZINC000009201984
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