Vitas-M small molecule compound
methyl 4'-(1,3-benzodioxol-5-yl)-7-chloro-5'-hydroxy-4,6-dimethoxy-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate
Catalog ID
STL550448
SMILES COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1ccc2c(c1)OCO2
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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 C29H26ClNO9 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClNO9/c1-12-8-15-22(26(32)29(12)27(33)23-18(35-3)10-19(36-4)24(30)25(23)40-29)21(20(13(2)31-15)28(34)37-5)14-6-7-16-17(9-14)39-11-38-16/h6-7,9-10,12,21,32H,8,11H2,1-5H3InChIKey
PWDXQXZYVWLAEB-UHFFFAOYSA-NSynonyms
InChI=1SC29H26ClNO9c11281522(26(32)29(12)27(33)2318(353)1019(364)24(30)25(23)4029)21(20(13(2)3115)28(34)375)14671617(914)39113816h67910122132H811H215H3
methyl4(13benzodioxol5yl)7chloro5hydroxy46dimethoxy27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31757594
ZINC000888090290
ZINC000888090293
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