Vitas-M small molecule compound
2-(3-hydroxyphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL358613
SMILES Oc1cccc(c1)n1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)N1CCCCC1
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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 C23H19N3O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5/c27-15-7-4-6-14(12-15)25-22(28)17-9-5-8-16-20(17)18(23(25)29)13-19(26(30)31)21(16)24-10-2-1-3-11-24/h4-9,12-13,27H,1-3,10-11H2InChIKey
SBIRODUXUQEOOX-UHFFFAOYSA-NSynonyms
2(3hydroxyphenyl)5nitro6(piperidin1yl)1Hbenzo(de)isoquinoline13(2H)dione
2(3HYDROXYPHENYL)5NITRO6PIPERIDIN1YLBENZO(DE)ISOQUINOLINE13DIONE
C1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)C5=CC(=CC=C5)O)(N+)(=O)(O)
InChI=1SC23H19N3O5c271574614(1215)2522(28)179581620(17)18(23(25)29)1319(26(30)31)21(16)24102131124h49121327H131011H2
MFCD03994283
Oc1cccc(c1)n1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)N1CCCCC1
ZINC000004949571
ZINC04949571
ZINC4949571
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