Vitas-M small molecule compound
2-[4-(morpholin-4-ylsulfonyl)phenyl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295140
SMILES O=c1n(c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(=O)c2c3c1cc(cc3cc(c2)[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/c27-21-18-11-15(25(29)30)9-13-10-16(26(31)32)12-19(20(13)18)22(28)24(21)14-1-3-17(4-2-14)36(33,34)23-5-7-35-8-6-23/h1-4,9-12H,5-8H2InChIKey
ASSORXYCXPTOIT-UHFFFAOYSA-NSynonyms
2(4(morpholin4ylsulfonyl)phenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4morpholin4ylsulfonylphenyl)58dinitrobenzo(de)isoquinoline13dione
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H16N4O9Sc2721181115(25(29)30)9131016(26(31)32)1219(20(13)18)22(28)24(21)141317(4214)36(3334)2357358623h14912H58H2
MFCD00659996
O=c1n(c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(=O)c2c3c1cc(cc3cc(c2)(N+)(=O)(O))(N+)(=O)(O)
ZINC000095470926
ZINC95470926
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