Vitas-M small molecule compound
methyl 3-(3-chloro-4-hydroxyphenyl)-3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}propanoate
Catalog ID
STL317173
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1ccc(c(c1)Cl)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 C22H19ClO6S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClO6S/c1-28-20(26)11-16(13-7-8-18(24)17(23)9-13)22-21(27)19(25)10-14(29-22)12-30-15-5-3-2-4-6-15/h2-10,16,24,27H,11-12H2,1H3InChIKey
HDJPOAXVUQQLIT-UHFFFAOYSA-NSynonyms
1435988-71-81435988718
COC(=O)CC(C1=CC(=C(C=C1)O)Cl)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC22H19ClO6Sc12820(26)1116(137818(24)17(23)913)2221(27)19(25)1014(2922)1230155324615h210162427H1112H21H3
methyl3(3chloro4hydroxyphenyl)3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)propanoate
MFCD23140102
ZINC000095478323
ZINC000095478324
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