Vitas-M small molecule compound
methyl 3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-4-methylpentanoate
Catalog ID
STL320332
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)Br)cc(=O)c1O)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 C19H21BrO5S MW 441.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrO5S/c1-11(2)15(9-17(22)24-3)19-18(23)16(21)8-13(25-19)10-26-14-6-4-12(20)5-7-14/h4-8,11,15,23H,9-10H2,1-3H3InChIKey
ZDTNFDYBDIEYNY-UHFFFAOYSA-NSynonyms
1574304-04-31574304043
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=CC=C(C=C2)Br)O
InChI=1SC19H21BrO5Sc111(2)15(917(22)243)1918(23)16(21)813(2519)1026146412(20)5714h48111523H910H213H3
methyl3(6(((4bromophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6(((4bromophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6((4bromophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)4methylpentanoate
MFCD28029437
ZINC000095480737
ZINC000095480738
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