Vitas-M small molecule compound
2-(3-methoxypropyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL358393
SMILES COCCCn1c(=O)c2cccc3c2c(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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-23-9-3-8-17-15(19)11-5-2-4-10-13(18(21)22)7-6-12(14(10)11)16(17)20/h2,4-7H,3,8-9H2,1H3InChIKey
XRSFXXKSPNOGOZ-UHFFFAOYSA-NSynonyms
2(3methoxypropyl)6nitro1Hbenzo(de)isoquinoline13(2H)dione
2(3METHOXYPROPYL)6NITROBENZO(DE)ISOQUINOLINE13DIONE
COCCCN1C(=O)C2=C3C(=C(C=C2)(N+)(=O)(O))C=CC=C3C1=O
COCCCn1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
InChI=1SC16H14N2O5c1239381715(19)115241013(18(21)22)7612(14(10)11)16(17)20h247H389H21H3
MFCD00489587
ZINC000003898202
ZINC03898202
ZINC3898202
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