Vitas-M small molecule compound
methyl 3-(3-bromo-4-fluorophenyl)-3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL434585
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)Cl)cc(=O)c1O)c1ccc(c(c1)Br)F
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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 C22H17BrClFO5S MW 527.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrClFO5S/c1-29-20(27)10-16(12-2-7-18(25)17(23)8-12)22-21(28)19(26)9-14(30-22)11-31-15-5-3-13(24)4-6-15/h2-9,16,28H,10-11H2,1H3InChIKey
SQYJXKIAMNSHAS-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC(=C(C=C1)F)Br)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)Cl)O
InChI=1SC22H17BrClFO5Sc12920(27)1016(122718(25)17(23)812)2221(28)19(26)914(3022)1131155313(24)4615h291628H1011H21H3
methyl3(3bromo4fluorophenyl)3(6(((4chlorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(3bromo4fluorophenyl)3(6((4chlorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)propanoate
MFCD30711233
ZINC000100255911
ZINC000100255916
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