Vitas-M small molecule compound
6-[(2-hydroxyethyl)amino]-5-nitro-2-(4-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294715
SMILES OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)[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 C20H14N4O7 MW 422.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O7/c25-9-8-21-18-13-2-1-3-14-17(13)15(10-16(18)24(30)31)20(27)22(19(14)26)11-4-6-12(7-5-11)23(28)29/h1-7,10,21,25H,8-9H2InChIKey
AJBBOMVOBAKDCY-UHFFFAOYSA-NSynonyms
6((2hydroxyethyl)amino)5nitro2(4nitrophenyl)1Hbenzo(de)isoquinoline13(2H)dione
6(2hydroxyethylamino)5nitro2(4nitrophenyl)benzo(de)isoquinoline13dione
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NCCO)(N+)(=O)(O))C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H14N4O7c25982118132131417(13)15(1016(18)24(30)31)20(27)22(19(14)26)114612(7511)23(28)29h17102125H89H2
MFCD28032761
OCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000095470799
ZINC95470799
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