Vitas-M small molecule compound

methyl 3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-5-yl)propanoate

Catalog ID
STL316734
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1ccnn1C

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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 C20H18F2N2O5S MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F2N2O5S/c1-24-15(5-6-23-24)13(9-18(26)28-2)20-19(27)16(25)8-12(29-20)10-30-17-4-3-11(21)7-14(17)22/h3-8,13,27H,9-10H2,1-2H3
InChIKey
ZTUNXNZFFBVUDT-UHFFFAOYSA-N
Synonyms
1574484-84-6
1574484846
CN1C(=CC=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O
InChI=1SC20H18F2N2O5Sc12415(562324)13(918(26)282)2019(27)16(25)812(2920)1030174311(21)714(17)22h381327H910H212H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(6(((24difluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(2methylpyrazol3yl)propanoate
MFCD28027991
ZINC000095477986
ZINC000095477987

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Available files

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