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3-(1,3-benzodioxol-5-yl)-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]-N-(1H-indol-4-ylmethyl)propanamide

Catalog ID
STL551796
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1cccc2c1cc[nH]2)Cl

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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 C35H31ClN2O9 MW 659.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31ClN2O9/c1-17-11-23(39)29(33(41)35(17)34(42)30-26(43-2)14-27(44-3)31(36)32(30)47-35)21(18-7-8-24-25(12-18)46-16-45-24)13-28(40)38-15-19-5-4-6-22-20(19)9-10-37-22/h4-10,12,14,17,21,37,41H,11,13,15-16H2,1-3H3,(H,38,40)/t17-,21?,35+/m1/s1
InChIKey
PSHHVHGWYNRWFI-IGJBXWSVSA-N
Synonyms

135640138
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1~(H)indol4ylmethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1Hindol4ylmethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1cccc2c1cc(nH)2)Cl
InChI=1SC35H31ClN2O9c1171123(39)29(33(41)35(17)34(42)3026(432)1427(443)31(36)32(30)4735)21(18782425(1218)46164524)1328(40)3815195462220(19)9103722h410121417213741H11131516H213H3(H3840)t1721?35+m1s1
N((1Hindol4yl)methyl)3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamide
ZINC001547204204
ZINC001547204205

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Available files

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