Vitas-M small molecule compound
methyl 7-chloro-5'-hydroxy-4'-(4-hydroxyphenyl)-4,6-dimethoxy-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate
Catalog ID
STL549338
SMILES COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1ccc(cc1)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 C28H26ClNO8 MW 539.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClNO8/c1-12-10-16-21(20(14-6-8-15(31)9-7-14)19(13(2)30-16)27(34)37-5)25(32)28(12)26(33)22-17(35-3)11-18(36-4)23(29)24(22)38-28/h6-9,11-12,20,31-32H,10H2,1-5H3InChIKey
QJKZCLRNEZKQHD-UHFFFAOYSA-NSynonyms
InChI=1SC28H26ClNO8c112101621(20(146815(31)9714)19(13(2)3016)27(34)375)25(32)28(12)26(33)2217(353)1118(364)23(29)24(22)3828h691112203132H10H215H3
methyl7chloro5hydroxy4(4hydroxyphenyl)46dimethoxy27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31756925
ZINC000888089933
ZINC000888089936
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Check stock on Vitas-MAvailable files
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