Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate

Catalog ID
STK286963
SMILES O=C(c1cc(nc2c1cccc2C)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2)OCC(=O)c1ccc(cc1)[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 C33H21N3O7 MW 571.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21N3O7/c1-19-5-4-8-24-27(33(40)43-18-29(37)21-11-15-23(16-12-21)36(41)42)17-28(34-30(19)24)20-9-13-22(14-10-20)35-31(38)25-6-2-3-7-26(25)32(35)39/h2-17H,18H2,1H3
InChIKey
CAKJSNDGEAORDZ-UHFFFAOYSA-N
Synonyms

(2(4NITROPHENYL)2OXOETHYL)2(4(13DIOXOISOINDOL2YL)PHENYL)8METHYLQUINOLINE4CARBOXYLATE
2(4nitrophenyl)2oxoethyl2(4(13dioxo13dihydro2Hisoindol2yl)phenyl)8methylquinoline4carboxylate
2(4NITROPHENYL)2OXOETHYL2(4(13DIOXOBENZO(C)AZOLIDIN2YL)PHENYL)8METHYLQUINOLINE4CARBOXYLATE
CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O
InChI=1SC33H21N3O7c1195482427(33(40)431829(37)21111523(161221)36(41)42)1728(3430(19)24)2091322(141020)3531(38)25623726(25)32(35)39h217H18H21H3
MFCD03650364
O=C(c1cc(nc2c1cccc2C)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000100396605
ZINC100396605

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.