Vitas-M small molecule compound
methyl 7-chloro-4'-(3-chloro-4-hydroxyphenyl)-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
STL549582
SMILES COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1ccc(c(c1)Cl)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 C28H25Cl2NO8 MW 574.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2NO8/c1-11-8-15-21(20(13-6-7-16(32)14(29)9-13)19(12(2)31-15)27(35)38-5)25(33)28(11)26(34)22-17(36-3)10-18(37-4)23(30)24(22)39-28/h6-7,9-11,20,32-33H,8H2,1-5H3InChIKey
BXHXKFSKBOKMDC-UHFFFAOYSA-NSynonyms
InChI=1SC28H25Cl2NO8c11181521(20(136716(32)14(29)913)19(12(2)3115)27(35)385)25(33)28(11)26(34)2217(363)1018(374)23(30)24(22)3928h67911203233H8H215H3
methyl7chloro4(3chloro4hydroxyphenyl)5hydroxy46dimethoxy27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31757070
ZINC000888089005
ZINC000888089008
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