Vitas-M small molecule compound

2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK400671
SMILES OCCn1c(=O)c2cc(cc3c2c(c1=O)ccc3)[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 C14H10N2O5 MW 286.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N2O5/c17-5-4-15-13(18)10-3-1-2-8-6-9(16(20)21)7-11(12(8)10)14(15)19/h1-3,6-7,17H,4-5H2
InChIKey
DZWAVLDRXDPZOM-UHFFFAOYSA-N
Synonyms
79070-65-8
1HBENZ(DE)ISOQUINOLINE13(2H)DIONE2(2HYDROXYETHYL)5NITRO
1HBENZO(DE)ISOQUINOLINE13(2H)DIONE2(2HYDROXYETHYL)5NITRO
2(2hydroxyethyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(2HYDROXYETHYL)5NITROBENZO(DE)ISOQUINOLINE13DIONE
79070658
C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCO)(N+)(=O)(O)
InChI=1SC14H10N2O5c17541513(18)10312869(16(20)21)711(12(8)10)14(15)19h136717H45H2
MFCD00415093
OCCn1c(=O)c2cc(cc3c2c(c1=O)ccc3)(N+)(=O)(O)
ZINC000004381484
ZINC04381484
ZINC4381484

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Available files

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