Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[(3-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL434600
SMILES COC(=O)CC(c1oc(CSc2cccc(c2)OC)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2
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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 C25H24O9S MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24O9S/c1-29-15-5-4-6-17(9-15)35-12-16-10-19(26)23(28)24(34-16)18(11-22(27)31-3)14-7-20(30-2)25-21(8-14)32-13-33-25/h4-10,18,28H,11-13H2,1-3H3InChIKey
RKQHHQCKXNTOCX-UHFFFAOYSA-NSynonyms
COC1=CC(=CC=C1)SCC2=CC(=O)C(=C(O2)C(CC(=O)OC)C3=CC4=C(C(=C3)OC)OCO4)O
InChI=1SC25H24O9Sc1291554617(915)3512161019(26)23(28)24(3416)18(1122(27)313)14720(302)2521(814)32133325h4101828H1113H213H3
methyl3(3hydroxy6(((3methoxyphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(3hydroxy6((3methoxyphenyl)sulfanylmethyl)4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD30711248
ZINC000096335891
ZINC000096335892
Check stock
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