Vitas-M small molecule compound

methyl 7-chloro-5'-hydroxy-4,6-dimethoxy-4'-[3-(2-methoxy-2-oxoethoxy)phenyl]-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate

Catalog ID
STL550419
SMILES COC(=O)COc1cccc(c1)C1C(=C(C)N=C2C1=C(O)C1(C(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)C(=O)OC

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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 C31H30ClNO10 MW 612.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClNO10/c1-14-10-18-24(28(35)31(14)29(36)25-19(38-3)12-20(39-4)26(32)27(25)43-31)23(22(15(2)33-18)30(37)41-6)16-8-7-9-17(11-16)42-13-21(34)40-5/h7-9,11-12,14,23,35H,10,13H2,1-6H3
InChIKey
BEPBEYMDGHNJIJ-UHFFFAOYSA-N
Synonyms

InChI=1SC31H30ClNO10c114101824(28(35)31(14)29(36)2519(383)1220(394)26(32)27(25)4331)23(22(15(2)3318)30(37)416)1687917(1116)421321(34)405h791112142335H1013H216H3
methyl7chloro5hydroxy46dimethoxy4(3(2methoxy2oxoethoxy)phenyl)27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31757580
ZINC000888089419
ZINC000888089422

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Available files

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