Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK269334
SMILES Cc1ccc(c(c1)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-])C(C)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 C33H26N2O8 MW 578.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O8/c1-19(2)26-13-7-20(3)15-30(26)43-25-11-9-23(10-12-25)34-31(37)27-14-8-22(17-28(27)32(34)38)33(39)42-18-29(36)21-5-4-6-24(16-21)35(40)41/h4-17,19H,18H2,1-3H3
InChIKey
NQEKOTUBMGXQSQ-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)2(4(5METHYL2PROPAN2YLPHENOXY)PHENYL)13DIOXOISOINDOLE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4(5METHYL2(METHYLETHYL)PHENOXY)PHENYL)13DIOXOBENZO(C)AZOLINE5CARBOXYLATE
2(3nitrophenyl)2oxoethyl2(4(5methyl2(propan2yl)phenoxy)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc(c(c1)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O))C(C)C
InChI=1SC33H26N2O8c119(2)2613720(3)1530(26)432511923(101225)3431(37)2714822(1728(27)32(34)38)33(39)421829(36)2154624(1621)35(40)41h41719H18H213H3
MFCD02187789
ZINC000100744571
ZINC100744571

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Available files

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