Vitas-M small molecule compound
3-(4-bromophenyl)-7-(3,3-dimethyl-2-oxobutoxy)-2-methyl-4H-chromen-4-one
Catalog ID
STK922975
SMILES Brc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OCC(=O)C(C)(C)C
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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 C22H21BrO4 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO4/c1-13-20(14-5-7-15(23)8-6-14)21(25)17-10-9-16(11-18(17)27-13)26-12-19(24)22(2,3)4/h5-11H,12H2,1-4H3InChIKey
UAYSFNPOZRPAJO-UHFFFAOYSA-NSynonyms
3(4bromophenyl)7(33dimethyl2oxobutoxy)2methyl4Hchromen4one
3(4BROMOPHENYL)7(33DIMETHYL2OXOBUTOXY)2METHYLCHROMEN4ONE
7(33DIMETHYL2OXOBUTOXY)3(4BROMOPHENYL)2METHYLCHROMEN4ONE
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)C(C)(C)C)C3=CC=C(C=C3)Br
InChI=1SC22H21BrO4c11320(145715(23)8614)21(25)1710916(1118(17)2713)261219(24)22(23)4h511H12H214H3
MFCD04189218
ZINC000011868349
ZINC11868349
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