Vitas-M small molecule compound

2,2'-pyridine-2,6-diylbis[5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione]

Catalog ID
STK084244
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(n1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(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 C33H17N5O10 MW 643.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H17N5O10/c39-30-24-14-12-22(47-20-8-4-18(5-9-20)37(43)44)16-26(24)32(41)35(30)28-2-1-3-29(34-28)36-31(40)25-15-13-23(17-27(25)33(36)42)48-21-10-6-19(7-11-21)38(45)46/h1-17H
InChIKey
DEMMYVBKKYCTRC-UHFFFAOYSA-N
Synonyms

22PYRIDINE26DIYLBIS(5(4NITROPHENOXY)1HISOINDOLE13(2H)DIONE)
5(4NITROPHENOXY)2(6(5(4NITROPHENOXY)13DIOXOISOINDOL2YL)PYRIDIN2YL)ISOINDOLE13DIONE
C1=CC(=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O))N5C(=O)C6=C(C5=O)C=C(C=C6)OC7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC33H17N5O10c393024141222(47208418(5920)37(43)44)1626(24)32(41)35(30)2821329(3428)3631(40)25151323(1727(25)33(36)42)482110619(71121)38(45)46h117H
MFCD00304560
O=C1c2cc(ccc2C(=O)N1c1cccc(n1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O))Oc1ccc(cc1)(N+)(=O)(O)
STK084244
ZINC000150351783
ZINC150351783

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Available files

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