Vitas-M small molecule compound
2-{4-[(2-hydroxyethyl)sulfonyl]phenyl}-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK669840
SMILES OCCS(=O)(=O)c1ccc(cc1)n1c(=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 C20H13N3O9S MW 471.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O9S/c24-9-10-33(31,32)12-3-1-11(2-4-12)21-19(25)13-5-7-15(22(27)28)18-16(23(29)30)8-6-14(17(13)18)20(21)26/h1-8,24H,9-10H2InChIKey
SIKDGDDWECMNFT-UHFFFAOYSA-NSynonyms
2(4((2hydroxyethyl)sulfonyl)phenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4(2HYDROXYETHYLSULFONYL)PHENYL)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)S(=O)(=O)CCO
InChI=1SC20H13N3O9Sc2491033(3132)123111(2412)2119(25)135715(22(27)28)1816(23(29)30)8614(17(13)18)20(21)26h1824H910H2
MFCD00659960
OCCS(=O)(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000003044913
ZINC03044913
ZINC3044913
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