Vitas-M small molecule compound
2-(3-hydroxypropyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295573
SMILES OCCCn1c(=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 C15H11N3O7 MW 345.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N3O7/c19-7-1-6-16-14(20)8-2-4-10(17(22)23)13-11(18(24)25)5-3-9(12(8)13)15(16)21/h2-5,19H,1,6-7H2InChIKey
PNUUFXHABHDLDV-UHFFFAOYSA-NSynonyms
2(3hydroxypropyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3hydroxypropyl)67dinitrobenzo(de)isoquinoline13dione
C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCCO)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H11N3O7c197161614(20)82410(17(22)23)1311(18(24)25)539(12(8)13)15(16)21h2519H167H2
MFCD28033031
OCCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000095471051
ZINC95471051
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