Vitas-M small molecule compound
methyl 3-(6-{[(2,4-dimethylphenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
Catalog ID
STL316736
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2C)C)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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-14-6-7-20(15(2)9-14)30-13-17-10-19(25)22(27)23(29-17)18(11-21(26)28-3)16-5-4-8-24-12-16/h4-10,12,18,27H,11,13H2,1-3H3InChIKey
RQFOUSMCXBYANB-UHFFFAOYSA-NSynonyms
1574409-43-01574409430
CC1=CC(=C(C=C1)SCC2=CC(=O)C(=C(O2)C(CC(=O)OC)C3=CN=CC=C3)O)C
InChI=1SC23H23NO5Sc1146720(15(2)914)3013171019(25)22(27)23(2917)18(1121(26)283)16548241216h410121827H1113H213H3
methyl3(6(((24dimethylphenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6(((24dimethylphenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6((24dimethylphenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3pyridin3ylpropanoate
MFCD28027992
ZINC000095477988
ZINC000095477989
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