Vitas-M small molecule compound
methyl 3-(5-bromothiophen-2-yl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL315272
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(s1)Br
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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 C14H13BrO5S MW 373.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrO5S/c1-7-5-9(16)13(18)14(20-7)8(6-12(17)19-2)10-3-4-11(15)21-10/h3-5,8,18H,6H2,1-2H3InChIKey
OMRLVDCABNSWSM-UHFFFAOYSA-NSynonyms
1574483-36-51574483365
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=CC=C(S2)Br)O
InChI=1SC14H13BrO5Sc1759(16)13(18)14(207)8(612(17)192)103411(15)2110h35818H6H212H3
methyl3(5bromothiophen2yl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
methyl3(5bromothiophen2yl)3(3hydroxy6methyl4oxopyran2yl)propanoate
MFCD28027159
ZINC000095476946
ZINC000095476947
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