Vitas-M small molecule compound
2-(2-hydroxyethyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295518
SMILES OCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[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 C14H9N3O7 MW 331.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O7/c18-6-5-15-13(19)7-1-3-9(16(21)22)12-10(17(23)24)4-2-8(11(7)12)14(15)20/h1-4,18H,5-6H2InChIKey
LLEDDFVCKXYILU-UHFFFAOYSA-NSynonyms
2(2hydroxyethyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(2hydroxyethyl)67dinitrobenzo(de)isoquinoline13dione
C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCO)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O7c18651513(19)7139(16(21)22)1210(17(23)24)428(11(7)12)14(15)20h1418H56H2
MFCD00391397
OCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000095471044
ZINC95471044
Check stock
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Check stock on Vitas-MAvailable files
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