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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-[2-(1H-imidazol-4-yl)ethyl]propanamide

Catalog ID
STL552265
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1c[nH]cn1)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 C31H30ClN3O9 MW 624.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O9/c1-15-8-19(36)25(29(38)31(15)30(39)26-22(40-2)11-23(41-3)27(32)28(26)44-31)18(16-4-5-20-21(9-16)43-14-42-20)10-24(37)34-7-6-17-12-33-13-35-17/h4-5,9,11-13,15,18,38H,6-8,10,14H2,1-3H3,(H,33,35)(H,34,37)/t15-,18?,31+/m1/s1
InChIKey
UEVZRNJQCMRJAP-CSMPJTTPSA-N
Synonyms

135640530
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(1~(H)imidazol5yl)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(1Himidazol4yl)ethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1c(nH)cn1)Cl
InChI=1SC31H30ClN3O9c115819(36)25(29(38)31(15)30(39)2622(402)1123(413)27(32)28(26)4431)18(16452021(916)43144220)1024(37)3476171233133517h4591113151838H681014H213H3(H3335)(H3437)t1518?31+m1s1
N(2(1Himidazol4yl)ethyl)3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamide
ZINC001547212430
ZINC001547212431

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Available files

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