Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(naphthalen-1-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK269488
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2)OCC(=O)c1ccc(c(c1)[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 C28H18N2O7 MW 494.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N2O7/c1-16-9-10-18(14-24(16)30(35)36)25(31)15-37-28(34)19-11-12-21-22(13-19)27(33)29(26(21)32)23-8-4-6-17-5-2-3-7-20(17)23/h2-14H,15H2,1H3InChIKey
OTKDVDMSUHEADJ-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)2NAPHTHALEN1YL13DIOXOISOINDOLE5CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl2(naphthalen1yl)13dioxo23dihydro1Hisoindole5carboxylate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)(N+)(=O)(O)
InChI=1SC28H18N2O7c11691018(1424(16)30(35)36)25(31)153728(34)1911122122(1319)27(33)29(26(21)32)2384617523720(17)23h214H15H21H3
MFCD02318414
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000001174076
ZINC01174076
ZINC1174076
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