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ethyl 2-(4-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

Catalog ID
STL550702
SMILES CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)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 C28H27ClF3NO9 MW 613.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClF3NO9/c1-6-41-25(36)27(37,28(30,31)32)14-7-8-16(17(10-14)38-3)33-15-9-13(2)26(20(34)11-15)24(35)21-18(39-4)12-19(40-5)22(29)23(21)42-26/h7-8,10-13,33,37H,6,9H2,1-5H3/t13-,26+,27?/m1/s1
InChIKey
QYVYSZDWEDLFGK-FGHBVOQQSA-N
Synonyms

127253204
CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)O
ethyl2(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)3methoxyphenyl)333trifluoro2hydroxypropanoate
ethyl2(4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)3methoxyphenyl)333trifluoro2hydroxypropanoate
ethyl2(4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)3methoxyphenyl)333trifluoro2hydroxypropanoate
InChI=1SC28H27ClF3NO9c164125(36)27(3728(3031)32)147816(17(1014)383)3315913(2)26(20(34)1115)24(35)2118(394)1219(405)22(29)23(21)4226h7810133337H69H215H3t1326+27?m1s1
ZINC000604405577
ZINC000604405578

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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