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-[3-(pyrimidin-2-yloxy)phenyl]propanoate
Catalog ID
STL550433
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1cccc(c1)Oc1ncccn1
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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 C30H27ClN2O9 MW 595.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN2O9/c1-15-11-19(34)23(27(36)30(15)28(37)24-20(38-2)14-21(39-3)25(31)26(24)42-30)18(13-22(35)40-4)16-7-5-8-17(12-16)41-29-32-9-6-10-33-29/h5-10,12,14-15,18,34H,11,13H2,1-4H3InChIKey
GGEAXUUBIYQION-UHFFFAOYSA-NSynonyms
InChI=1SC30H27ClN2O9c1151119(34)23(27(36)30(15)28(37)2420(382)1421(393)25(31)26(24)4230)18(1322(35)404)1675817(1216)41293296103329h5101214151834H1113H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(3(pyrimidin2yloxy)phenyl)propanoate
MFCD31757586
ZINC000888089763
ZINC000888089766
Check stock
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Check stock on Vitas-MAvailable files
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