Vitas-M small molecule compound
methyl 3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}propanoate
Catalog ID
STL320292
SMILES COC(=O)CC(c1cnn(c1C)C)c1oc(CSc2ccccc2)cc(=O)c1O
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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-13-17(11-22-23(13)2)16(10-19(25)27-3)21-20(26)18(24)9-14(28-21)12-29-15-7-5-4-6-8-15/h4-9,11,16,26H,10,12H2,1-3H3InChIKey
HTZFVTSLMUSWJQ-UHFFFAOYSA-NSynonyms
1442077-71-51442077715
CC1=C(C=NN1C)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC21H22N2O5Sc11317(112223(13)2)16(1019(25)273)2120(26)18(24)914(2821)1229157546815h49111626H1012H213H3
methyl3(15dimethyl1Hpyrazol4yl)3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)propanoate
methyl3(15dimethyl1Hpyrazol4yl)3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)propanoate
methyl3(15dimethylpyrazol4yl)3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)propanoate
MFCD28029414
ZINC000095480702
ZINC000095480703
Check stock
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