Vitas-M small molecule compound
4-nitrobenzyl 3-[1,3-dioxo-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
Catalog ID
STK045542
SMILES O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C12CC3CC(C2)CC(C1)C3)OCc1ccc(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 C32H28N2O6 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6/c35-29-27-9-6-24(32-15-20-10-21(16-32)12-22(11-20)17-32)14-28(27)30(36)33(29)26-3-1-2-23(13-26)31(37)40-18-19-4-7-25(8-5-19)34(38)39/h1-9,13-14,20-22H,10-12,15-18H2InChIKey
ITIFXBJTCIDONY-UHFFFAOYSA-NSynonyms
(4NITROPHENYL)METHYL3(5(1ADAMANTYL)13DIOXOISOINDOL2YL)BENZOATE
4nitrobenzyl3(13dioxo5(tricyclo(3311~37~)dec1yl)13dihydro2Hisoindol2yl)benzoate
C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)OCC7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC32H28N2O6c3529279624(3215201021(1632)1222(1120)1732)1428(27)30(36)33(29)2631223(1326)31(37)4018194725(8519)34(38)39h1913142022H10121518H2
MFCD03725681
O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C12CC3CC(C2)CC(C1)C3)OCc1ccc(cc1)(N+)(=O)(O)
STK045542
ZINC000097995606
ZINC97995606
Check stock
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