Vitas-M small molecule compound

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

Catalog ID
STL550160
SMILES COC(=O)CC(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc2cc(OC)ccc2nc1O

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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 C30H28ClNO10 MW 598.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClNO10/c1-13-8-19(33)23(27(35)30(13)28(36)24-20(39-3)12-21(40-4)25(31)26(24)42-30)16(11-22(34)41-5)17-10-14-9-15(38-2)6-7-18(14)32-29(17)37/h6-7,9-10,12-13,16,35H,8,11H2,1-5H3,(H,32,37)
InChIKey
XMFIQXJPYVIHIZ-UHFFFAOYSA-N
Synonyms

132285927
InChI=1SC30H28ClNO10c113819(33)23(27(35)30(13)28(36)2420(393)1221(404)25(31)26(24)4230)16(1122(34)415)171014915(382)6718(14)3229(17)37h6791012131635H811H215H3(H3237)
methyl3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(6methoxy2oxo1~(H)quinolin3yl)propanoate
methyl3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(2hydroxy6methoxyquinolin3yl)propanoate
MFCD31757431
ZINC000524730793
ZINC000888089365

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Available files

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