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N-[2-(acetylamino)ethyl]-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]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561714
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNC(=O)C

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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 C32H37ClN2O11 MW 661.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37ClN2O11/c1-15-10-19(37)25(30(39)32(15)31(40)26-20(41-3)14-21(42-4)27(33)29(26)46-32)18(13-24(38)35-9-8-34-16(2)36)17-11-22(43-5)28(45-7)23(12-17)44-6/h11-12,14-15,18,39H,8-10,13H2,1-7H3,(H,34,36)(H,35,38)/t15-,18?,32+/m1/s1
InChIKey
LPTOVVTZUWLDNJ-APRHYTHISA-N
Synonyms

145705070
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNC(=O)C
InChI=1SC32H37ClN2O11c1151019(37)25(30(39)32(15)31(40)2620(413)1421(424)27(33)29(26)4632)18(1324(38)35983416(2)36)171122(435)28(457)23(1217)446h111214151839H81013H217H3(H3436)(H3538)t1518?32+m1s1
MFCD32650779
N(2(acetylamino)ethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N(2acetamidoethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N(2acetamidoethyl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
ZINC001848442851
ZINC001848442852

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Available files

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