Vitas-M small molecule compound

3-{[(4-methylphenyl)sulfonyl]acetyl}-2H-chromen-2-one

Catalog ID
STK205523
SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2ccccc2oc1=O

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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 C18H14O5S MW 342.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14O5S/c1-12-6-8-14(9-7-12)24(21,22)11-16(19)15-10-13-4-2-3-5-17(13)23-18(15)20/h2-10H,11H2,1H3
InChIKey
HAEMGKCRROSTPM-UHFFFAOYSA-N
Synonyms
354783-34-9
3(((4METHYLPHENYL)SULFONYL)ACETYL)2HCHROMEN2ONE
3(2((4METHYLPHENYL)SULFONYL)ACETYL)CHROMEN2ONE
3(2(4METHYLPHENYL)SULFONYLACETYL)CHROMEN2ONE
3(PTOLYLSULFONYL)ACETYLCOUMARIN
354783349
CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=CC=CC=C3OC2=O
InChI=1SC18H14O5Sc1126814(9712)24(2122)1116(19)151013423517(13)2318(15)20h210H11H21H3
MFCD02182693
ZINC000000057832
ZINC00057832
ZINC57832

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Available files

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