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3-(1,3-benzodioxol-5-yl)-3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)propanamide

Catalog ID
STL551778
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CS(=O)(=O)CC1O)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 C30H30ClNO12S MW 664.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO12S/c1-13-6-17(33)24(28(36)30(13)29(37)25-21(40-2)9-22(41-3)26(31)27(25)44-30)15(14-4-5-19-20(7-14)43-12-42-19)8-23(35)32-16-10-45(38,39)11-18(16)34/h4-5,7,9,13,15-16,18,34,36H,6,8,10-12H2,1-3H3,(H,32,35)
InChIKey
NWXWBTGBWGHEKX-UHFFFAOYSA-N
Synonyms

135640123
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(4hydroxy11dioxothiolan3yl)propanamide
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(4hydroxy11dioxidotetrahydrothiophen3yl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((3R4S)4hydroxy11dioxidotetrahydrothiophen3yl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)N(C@H)1CS(=O)(=O)C(C@H)1O)Cl
InChI=1SC30H30ClNO12Sc113617(33)24(28(36)30(13)29(37)2521(402)922(413)26(31)27(25)4430)15(14451920(714)43124219)823(35)32161045(3839)1118(16)34h4579131516183436H681012H213H3(H3235)
MFCD31758267
ZINC001772492884
ZINC001772492887

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Available files

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