Vitas-M small molecule compound

dimethyl 2,2'-[(2-oxo-1,2-dihydrobenzo[cd]indole-6,8-diyl)bis(sulfonylimino)]dibenzoate

Catalog ID
STK238312
SMILES COC(=O)c1ccccc1NS(=O)(=O)c1cc(c2c3c1cccc3c(=O)[nH]2)S(=O)(=O)Nc1ccccc1C(=O)OC

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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 C27H21N3O9S2 MW 595.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O9S2/c1-38-26(32)15-8-3-5-12-19(15)29-40(34,35)21-14-22(24-23-17(21)10-7-11-18(23)25(31)28-24)41(36,37)30-20-13-6-4-9-16(20)27(33)39-2/h3-14,29-30H,1-2H3,(H,28,31)
InChIKey
FYFIYFYVNUSQPE-UHFFFAOYSA-N
Synonyms
425402-66-0
425402660
COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C3C4=C2C=CC=C4C(=O)N3)S(=O)(=O)NC5=CC=CC=C5C(=O)OC
COC(=O)c1ccccc1NS(=O)(=O)c1cc(c2c3c1cccc3c(=O)(nH)2)S(=O)(=O)Nc1ccccc1C(=O)OC
DIMETHYL22((2OXO12DIHYDROBENZO(CD)INDOLE68DISULFONYL)BIS(AZANEDIYL))DIBENZOATE
dimethyl22((2oxo12dihydrobenzo(cd)indole68diyl)bis(sulfonylimino))dibenzoate
InChI=1SC27H21N3O9S2c13826(32)158351219(15)2940(3435)211422(242317(21)1071118(23)25(31)2824)41(3637)30201364916(20)27(33)392h3142930H12H3(H2831)
methyl2((8((2methoxycarbonylphenyl)sulfamoyl)2oxo1Hbenzo(cd)indol6yl)sulfonylamino)benzoate
MFCD02635165
ZINC000100841898
ZINC100841898

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.