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3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

Catalog ID
STL551846
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCN1CCN(CC1)C

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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 C34H42ClN3O9 MW 672.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42ClN3O9/c1-19-15-23(40)28(32(42)34(19)33(43)29-25(45-4)18-26(46-5)30(35)31(29)47-34)21(20-7-8-22(39)24(16-20)44-3)17-27(41)36-9-6-10-38-13-11-37(2)12-14-38/h7-8,16,18-19,21,39,42H,6,9-15,17H2,1-5H3,(H,36,41)/t19-,21?,34+/m1/s1
InChIKey
ICEAEZLEALDWOD-HCRBNUNISA-N
Synonyms

135640182
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(4methylpiperazin1yl)propyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(3(4methylpiperazin1yl)propyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(4methylpiperazin1yl)propyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCN1CCN(CC1)C
InChI=1SC34H42ClN3O9c1191523(40)28(32(42)34(19)33(43)2925(454)1826(465)30(35)31(29)4734)21(207822(39)24(1620)443)1727(41)36961038131137(2)121438h78161819213942H691517H215H3(H3641)t1921?34+m1s1
ZINC001547138918
ZINC001547138921

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Available files

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