Vitas-M small molecule compound
4-{5-[1-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoic acid
Catalog ID
STL550036
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(o1)c1ccc(cc1)C(=O)O
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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 C31H27ClO11 MW 611.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClO11/c1-14-11-18(33)24(28(35)31(14)29(36)25-21(39-2)13-22(40-3)26(32)27(25)43-31)17(12-23(34)41-4)20-10-9-19(42-20)15-5-7-16(8-6-15)30(37)38/h5-10,13-14,17,33H,11-12H2,1-4H3,(H,37,38)InChIKey
SDLLZQLFPYRLFM-UHFFFAOYSA-NSynonyms
4(5(1(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3methoxy3oxopropyl)furan2yl)benzoicacid
InChI=1SC31H27ClO11c1141118(33)24(28(35)31(14)29(36)2521(392)1322(403)26(32)27(25)4331)17(1223(34)414)2010919(4220)155716(8615)30(37)38h51013141733H1112H214H3(H3738)
MFCD31757356
ZINC000888089276
ZINC000888089279
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Check stock on Vitas-MAvailable files
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