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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-[1-(methylsulfonyl)piperidin-4-yl]propanamide

Catalog ID
STL551776
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CCN(CC1)S(=O)(=O)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 C32H35ClN2O11S MW 691.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35ClN2O11S/c1-16-11-20(36)26(30(38)32(16)31(39)27-23(42-2)14-24(43-3)28(33)29(27)46-32)19(17-5-6-21-22(12-17)45-15-44-21)13-25(37)34-18-7-9-35(10-8-18)47(4,40)41/h5-6,12,14,16,18-19,38H,7-11,13,15H2,1-4H3,(H,34,37)/t16-,19?,32+/m1/s1
InChIKey
UZWHUHBVBOWESE-UBOAEFFUSA-N
Synonyms

135640121
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1methylsulfonylpiperidin4yl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(methylsulfonyl)piperidin4yl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(methylsulfonyl)piperidin4yl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CCN(CC1)S(=O)(=O)C)Cl
InChI=1SC32H35ClN2O11Sc1161120(36)26(30(38)32(16)31(39)2723(422)1424(433)28(33)29(27)4632)19(17562122(1217)45154421)1325(37)34187935(10818)47(440)41h56121416181938H7111315H214H3(H3437)t1619?32+m1s1
ZINC001547211728
ZINC001547211729

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Available files

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