Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-oxo-4H-chromene-2-carboxamide

Catalog ID
STK848235
SMILES CCc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-2-16-7-9-17(10-8-16)14-24(18-11-12-30(27,28)15-18)23(26)22-13-20(25)19-5-3-4-6-21(19)29-22/h3-10,13,18H,2,11-12,14-15H2,1H3
InChIKey
YAKVYOAOOZFJCW-UHFFFAOYSA-N
Synonyms
879580-05-9
879580059
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3
InChI=1SC23H23NO5Sc12167917(10816)1424(18111230(2728)1518)23(26)221320(25)19534621(19)2922h3101318H211121415H21H3
MFCD06648999
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)4oxo4Hchromene2carboxamide
N(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)4OXOCHROMENE2CARBOXAMIDE
ZINC000008868037
ZINC000008868039

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Available files

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