Vitas-M small molecule compound
2-[4-(azepan-1-ylcarbonyl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK286254
SMILES O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])N1CCCCCC1
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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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c25-19(22-12-3-1-2-4-13-22)14-8-10-15(11-9-14)23-20(26)16-6-5-7-17(24(28)29)18(16)21(23)27/h5-11H,1-4,12-13H2InChIKey
MCURHHAYVUASTF-UHFFFAOYSA-NSynonyms
2(4(azepan1ylcarbonyl)phenyl)4nitro1Hisoindole13(2H)dione
2(4(AZEPANE1CARBONYL)PHENYL)4NITROISOINDOLE13DIONE
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
InChI=1SC21H19N3O5c2519(221231241322)1481015(11914)2320(26)1665717(24(28)29)18(16)21(23)27h511H141213H2
MFCD03350390
O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))N1CCCCCC1
ZINC000001111759
ZINC01111759
ZINC1111759
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