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-[2-(pyridin-2-ylmethoxy)phenyl]propanoate

Catalog ID
STL551461
SMILES COC(=O)CC(c1ccccc1OCc1ccccn1)C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

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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 C32H30ClNO9 MW 608.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO9/c1-17-13-21(35)26(30(37)32(17)31(38)27-23(39-2)15-24(40-3)28(33)29(27)43-32)20(14-25(36)41-4)19-10-5-6-11-22(19)42-16-18-9-7-8-12-34-18/h5-12,15,17,20,35H,13-14,16H2,1-4H3
InChIKey
WJVWAXOLLMIJNE-UHFFFAOYSA-N
Synonyms

InChI=1SC32H30ClNO9c1171321(35)26(30(37)32(17)31(38)2723(392)1524(403)28(33)29(27)4332)20(1425(36)414)1910561122(19)421618978123418h51215172035H131416H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(2(pyridin2ylmethoxy)phenyl)propanoate
MFCD31758149
ZINC000888089345
ZINC000888089348

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Available files

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