Vitas-M small molecule compound
2-(4-bromophenyl)-6-[(3-hydroxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294710
SMILES OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccc(cc1)Br)[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 C21H16BrN3O5 MW 470.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O5/c22-12-5-7-13(8-6-12)24-20(27)15-4-1-3-14-18(15)16(21(24)28)11-17(25(29)30)19(14)23-9-2-10-26/h1,3-8,11,23,26H,2,9-10H2InChIKey
QKVDQHXJPKJLSI-UHFFFAOYSA-NSynonyms
2(4bromophenyl)6((3hydroxypropyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4bromophenyl)6(3hydroxypropylamino)5nitrobenzo(de)isoquinoline13dione
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NCCCO)(N+)(=O)(O))C4=CC=C(C=C4)Br
InChI=1SC21H16BrN3O5c22125713(8612)2420(27)154131418(15)16(21(24)28)1117(25(29)30)19(14)23921026h138112326H2910H2
MFCD28032756
OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccc(cc1)Br)(N+)(=O)(O)
ZINC000095470794
ZINC95470794
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