Vitas-M small molecule compound

methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-(pyridin-3-yl)propanoate

Catalog ID
STL566403
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)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 C25H24ClNO8 MW 501.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO8/c1-12-8-15(28)19(14(9-18(29)34-4)13-6-5-7-27-11-13)23(30)25(12)24(31)20-16(32-2)10-17(33-3)21(26)22(20)35-25/h5-7,10-12,14,28H,8-9H2,1-4H3
InChIKey
MCYWRGCWBOLTBI-UHFFFAOYSA-N
Synonyms

methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(pyridin3yl)propanoate
MFCD32651918
ZINC000888089868
ZINC000888089871

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.