Vitas-M small molecule compound

3-(4-bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione

Catalog ID
STK767826
SMILES Clc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)(C)Cc1ccc(cc1)Br

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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 C21H20BrClO3 MW 435.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClO3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3
InChIKey
BYYFUQKQRQJWGX-UHFFFAOYSA-N
Synonyms
369394-79-6
3((4BROMOPHENYL)METHYL)6(4CHLOROPHENYL)355TRIMETHYL3H56DIHYDROPYRAN24DIONE
3((4BROMOPHENYL)METHYL)6(4CHLOROPHENYL)355TRIMETHYLOXANE24DIONE
3(4bromobenzyl)6(4chlorophenyl)355trimethyldihydro2Hpyran24(3H)dione
369394796
CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)C
InChI=1SC21H20BrClO3c120(2)17(1461016(23)11714)2619(25)21(318(20)24)12134815(22)9513h41117H12H213H3
MFCD03000212
ZINC000000717934
ZINC000000717938

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Available files

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