Vitas-M small molecule compound

2-[4-(morpholin-4-ylsulfonyl)phenyl]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL295490
SMILES O=c1n(c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(=O)c2c3c1ccc(c3c(cc2)[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 C22H16N4O9S MW 512.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O9S/c27-21-15-5-7-17(25(29)30)20-18(26(31)32)8-6-16(19(15)20)22(28)24(21)13-1-3-14(4-2-13)36(33,34)23-9-11-35-12-10-23/h1-8H,9-12H2
InChIKey
ZRBRXNPUOJYMSF-UHFFFAOYSA-N
Synonyms

2(4(morpholin4ylsulfonyl)phenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4morpholin4ylsulfonylphenyl)67dinitrobenzo(de)isoquinoline13dione
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C5C(=CC=C(C5=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))C3=O
InChI=1SC22H16N4O9Sc2721155717(25(29)30)2018(26(31)32)8616(19(15)20)22(28)24(21)131314(4213)36(3334)2391135121023h18H912H2
MFCD00659962
O=c1n(c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(=O)c2c3c1ccc(c3c(cc2)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003044917
ZINC3044917

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Available files

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