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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-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}propanamide

Catalog ID
STL552005
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1scc(n1)C)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 C32H30ClN3O10S MW 684.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3O10S/c1-14-7-18(37)25(29(40)32(14)30(41)26-21(42-3)10-22(43-4)27(33)28(26)46-32)17(16-5-6-19-20(8-16)45-13-44-19)9-23(38)34-11-24(39)36-31-35-15(2)12-47-31/h5-6,8,10,12,14,17,40H,7,9,11,13H2,1-4H3,(H,34,38)(H,35,36,39)/t14-,17?,32+/m1/s
InChIKey
HWRGTSBTURCEAB-WMCXXEBRSA-N
Synonyms

135640314
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2((4methyl13thiazol2yl)amino)2oxoethyl)propanamide
3(13BENZODIOXOL5YL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)PROPANAM
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2((4methyl13thiazol2yl)amino)2oxoethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2((4methylthiazol2yl)amino)2oxoethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1scc(n1)C)Cl
InChI=1SC32H30ClN3O10Sc114718(37)25(29(40)32(14)30(41)2621(423)1022(434)27(33)28(26)4632)17(16561920(816)45134419)923(38)341124(39)36313515(2)124731h5681012141740H791113H214H3(H3438)(H353639)t1417?32+m1s1
ZINC001547208916
ZINC001547208917

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Available files

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