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N-(1H-benzimidazol-2-ylmethyl)-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-(4-hydroxy-3-methoxyphenyl)propanamide

Catalog ID
STL552375
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1nc2c([nH]1)cccc2

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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 C34H32ClN3O9 MW 662.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O9/c1-16-11-22(40)28(32(42)34(16)33(43)29-24(45-3)14-25(46-4)30(35)31(29)47-34)18(17-9-10-21(39)23(12-17)44-2)13-27(41)36-15-26-37-19-7-5-6-8-20(19)38-26/h5-10,12,14,16,18,39,42H,11,13,15H2,1-4H3,(H,36,41)(H,37,38)/t16-,18?,34+/m1/s1
InChIKey
VXAMCTSMLZMWQB-XJSKBYDQSA-N
Synonyms

~(N)(1~(H)benzimidazol2ylmethyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132351842
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1nc2c((nH)1)cccc2
InChI=1SC34H32ClN3O9c1161122(40)28(32(42)34(16)33(43)2924(453)1425(464)30(35)31(29)4734)18(1791021(39)23(1217)442)1327(41)3615263719756820(19)3826h510121416183942H111315H214H3(H3641)(H3738)t1618?34+m1s1
N((1Hbenzo(d)imidazol2yl)methyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N(1Hbenzimidazol2ylmethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824596474
ZINC000824596475

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Available files

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