Vitas-M small molecule compound

methyl 1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate

Catalog ID
STK711522
SMILES CCCS(=O)(=O)c1c2c3ccccc3ccn2c(c1S(=O)(=O)CCC)C(=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 C20H23NO6S2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO6S2/c1-4-12-28(23,24)18-16-15-9-7-6-8-14(15)10-11-21(16)17(20(22)27-3)19(18)29(25,26)13-5-2/h6-11H,4-5,12-13H2,1-3H3
InChIKey
NSSUPTGHGVFDHT-UHFFFAOYSA-N
Synonyms

12BIS(PROPANE1SULFONYL)PYRROLO(21A)ISOQUINOLINE3CARBOXYLICACIDMETHYLESTER
CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)OC
InChI=1SC20H23NO6S2c141228(2324)181615976814(15)101121(16)17(20(22)273)19(18)29(2526)1352h611H451213H213H3
methyl12bis(propylsulfonyl)pyrrolo(21a)isoquinoline3carboxylate
MFCD00689807
ZINC000000753073
ZINC00753073
ZINC753073

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Available files

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