Vitas-M small molecule compound
2-(naphthalen-1-yl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL388281
SMILES O=c1n(c(=O)c2c3c1cccc3c(c(c2)[N+](=O)[O-])N1CCCCC1)c1cccc2c1cccc2
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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 C27H21N3O4 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4/c31-26-20-12-7-11-19-24(20)21(16-23(30(33)34)25(19)28-14-4-1-5-15-28)27(32)29(26)22-13-6-9-17-8-2-3-10-18(17)22/h2-3,6-13,16H,1,4-5,14-15H2InChIKey
YEIHJLAYUDNDDJ-UHFFFAOYSA-NSynonyms
2(naphthalen1yl)5nitro6(piperidin1yl)1Hbenzo(de)isoquinoline13(2H)dione
2NAPHTHALEN1YL5NITRO6PIPERIDIN1YLBENZO(DE)ISOQUINOLINE13DIONE
C1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)C5=CC=CC6=CC=CC=C65)(N+)(=O)(O)
InChI=1SC27H21N3O4c312620127111924(20)21(1623(30(33)34)25(19)28144151528)27(32)29(26)221369178231018(17)22h2361316H1451415H2
MFCD03715852
O=c1n(c(=O)c2c3c1cccc3c(c(c2)(N+)(=O)(O))N1CCCCC1)c1cccc2c1cccc2
ZINC000016225754
ZINC16225754
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