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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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

Catalog ID
STL552621
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1nccs1)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 C31H28ClN3O10S MW 670.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O10S/c1-14-8-17(36)24(28(39)31(14)29(40)25-20(41-2)11-21(42-3)26(32)27(25)45-31)16(15-4-5-18-19(9-15)44-13-43-18)10-22(37)34-12-23(38)35-30-33-6-7-46-30/h4-7,9,11,14,16,39H,8,10,12-13H2,1-3H3,(H,34,37)(H,33,35,38)/t14-,16?,31+/m1/s1
InChIKey
OLTPWANKEJJXJN-VJFFXMHXSA-N
Synonyms

135640825
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2oxo2(13thiazol2ylamino)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2oxo2(13thiazol2ylamino)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2oxo2(thiazol2ylamino)ethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1nccs1)Cl
InChI=1SC31H28ClN3O10Sc114817(36)24(28(39)31(14)29(40)2520(412)1121(423)26(32)27(25)4531)16(15451819(915)44134318)1022(37)341223(38)353033674630h47911141639H8101213H213H3(H3437)(H333538)t1416?31+m1s1
ZINC001547208946
ZINC001547208947

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Available files

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