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-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Catalog ID
STL550559
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(cc1)OCC(=C)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 C30H31ClO9 MW 571.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClO9/c1-15(2)14-39-18-9-7-17(8-10-18)19(12-23(33)38-6)24-20(32)11-16(3)30(28(24)34)29(35)25-21(36-4)13-22(37-5)26(31)27(25)40-30/h7-10,13,16,19,32H,1,11-12,14H2,2-6H3InChIKey
AKEGPYUCWDWZTN-UHFFFAOYSA-NSynonyms
InChI=1SC30H31ClO9c115(2)1439189717(81018)19(1223(33)386)2420(32)1116(3)30(28(24)34)29(35)2521(364)1322(375)26(31)27(25)4030h71013161932H1111214H226H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4((2methylprop2en1yl)oxy)phenyl)propanoate
MFCD31757650
ZINC000888090456
ZINC000888090459
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.