Vitas-M small molecule compound
2-ethyl-5-nitro-6-(pyrrolidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL359729
SMILES CCn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)N1CCCC1
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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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c1-2-20-17(22)12-7-5-6-11-15(12)13(18(20)23)10-14(21(24)25)16(11)19-8-3-4-9-19/h5-7,10H,2-4,8-9H2,1H3InChIKey
VKLXUMGZPZPZNB-UHFFFAOYSA-NSynonyms
2ethyl5nitro6(pyrrolidin1yl)1Hbenzo(de)isoquinoline13(2H)dione
2ethyl5nitro6pyrrolidin1ylbenzo(de)isoquinoline13dione
CCN1C(=O)C2=CC=CC3=C2C(=CC(=C3N4CCCC4)(N+)(=O)(O))C1=O
CCn1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)N1CCCC1
InChI=1SC18H17N3O4c122017(22)127561115(12)13(18(20)23)1014(21(24)25)16(11)19834919h5710H2489H21H3
MFCD28033779
ZINC000095471604
ZINC95471604
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