Vitas-M small molecule compound
6-[(2-hydroxyethyl)amino]-2-(2-methylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295358
SMILES OCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccccc1C)[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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-12-5-2-3-8-16(12)23-20(26)14-7-4-6-13-18(14)15(21(23)27)11-17(24(28)29)19(13)22-9-10-25/h2-8,11,22,25H,9-10H2,1H3InChIKey
LZEPZEFRHASHMT-UHFFFAOYSA-NSynonyms
6((2hydroxyethyl)amino)2(2methylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6(2hydroxyethylamino)2(2methylphenyl)5nitrobenzo(de)isoquinoline13dione
CC1=CC=CC=C1N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCO)(N+)(=O)(O))C2=O
InChI=1SC21H17N3O5c112523816(12)2320(26)147461318(14)15(21(23)27)1117(24(28)29)19(13)2291025h28112225H910H21H3
MFCD28032959
OCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccccc1C)(N+)(=O)(O)
ZINC000095471014
ZINC95471014
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