Vitas-M small molecule compound
2-(4-bromophenyl)-6-[(2-hydroxyethyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294721
SMILES OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)Br
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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 C20H14BrN3O5 MW 456.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O5/c21-11-4-6-12(7-5-11)23-19(26)14-3-1-2-13-17(14)15(20(23)27)10-16(24(28)29)18(13)22-8-9-25/h1-7,10,22,25H,8-9H2InChIKey
MZSQJGKQWVZXEL-UHFFFAOYSA-NSynonyms
2(4bromophenyl)6((2hydroxyethyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4bromophenyl)6(2hydroxyethylamino)5nitrobenzo(de)isoquinoline13dione
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NCCO)(N+)(=O)(O))C4=CC=C(C=C4)Br
InChI=1SC20H14BrN3O5c21114612(7511)2319(26)143121317(14)15(20(23)27)1016(24(28)29)18(13)228925h17102225H89H2
MFCD28032767
OCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)Br
ZINC000095470803
ZINC95470803
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