Vitas-M small molecule compound

2-cyclopropyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Catalog ID
STL250225
SMILES O=C(c1cn(C2CC2)c(=O)c2c1cccc2)NC1CCS(=O)(=O)C1

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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 C17H18N2O4S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S/c20-16(18-11-7-8-24(22,23)10-11)15-9-19(12-5-6-12)17(21)14-4-2-1-3-13(14)15/h1-4,9,11-12H,5-8,10H2,(H,18,20)
InChIKey
JEWZOVUXNXPKMV-UHFFFAOYSA-N
Synonyms
1401596-62-0
1401596620
2cyclopropylN(11dioxidotetrahydrothiophen3yl)1oxo12dihydroisoquinoline4carboxamide
2cyclopropylN(11dioxothiolan3yl)1oxoisoquinoline4carboxamide
C1CC1N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4CCS(=O)(=O)C4
InChI=1SC17H18N2O4Sc2016(18117824(2223)1011)15919(125612)17(21)14421313(14)15h1491112H5810H2(H1820)
MFCD22584822
ZINC000079489342
ZINC000079489346

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Available files

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