Vitas-M small molecule compound

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate

Catalog ID
STK208378
SMILES N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2

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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 C24H17NO5S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17NO5S/c25-14-17-5-1-3-7-22(17)31-23-8-4-2-6-18(23)24(27)30-15-19(26)16-9-10-20-21(13-16)29-12-11-28-20/h1-10,13H,11-12,15H2
InChIKey
SHDPXOZHDPYTKY-UHFFFAOYSA-N
Synonyms

(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)2(2CYANOPHENYL)SULFANYLBENZOATE
2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL2((2CYANOPHENYL)SULFANYL)BENZOATE
C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N
InChI=1SC24H17NO5Sc251417513722(17)3123842618(23)24(27)301519(26)169102021(1316)2912112820h11013H111215H2
MFCD03058584
ZINC000010034838
ZINC10034838

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Available files

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