Vitas-M small molecule compound
methyl 3-(6-{[(2-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
Catalog ID
STL314033
SMILES COC(=O)CC(c1oc(CSc2ccccc2Cl)cc(=O)c1O)c1cccnc1
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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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c1-27-19(25)10-15(13-5-4-8-23-11-13)21-20(26)17(24)9-14(28-21)12-29-18-7-3-2-6-16(18)22/h2-9,11,15,26H,10,12H2,1H3InChIKey
CYAYEADXUPIMPV-UHFFFAOYSA-NSynonyms
1574376-75-21574376752
COC(=O)CC(C1=CN=CC=C1)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3Cl)O
InChI=1SC21H18ClNO5Sc12719(25)1015(13548231113)2120(26)17(24)914(2821)122918732616(18)22h29111526H1012H21H3
methyl3(6(((2chlorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6(((2chlorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6((2chlorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3pyridin3ylpropanoate
MFCD28030463
ZINC000095476047
ZINC000095476048
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