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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-1-[(2S)-2-(1-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL548669
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(n1C)cccc2)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 C36H41N5O6 MW 639.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N5O6/c1-20(36(44)41-17-9-12-29(41)35-39-26-10-7-8-11-28(26)40(35)3)37-27-16-14-23-24(19-30(27)43)25(38-21(2)42)15-13-22-18-31(45-4)33(46-5)34(47-6)32(22)23/h7-8,10-11,14,16,18-20,25,29H,9,12-13,15,17H2,1-6H3,(H,37,43)(H,38,42)/t20-,25-,29-/
InChIKey
IZLOMUVKSBLTHZ-POWSXZFQSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))1((2~(S))2(1methylbenzimidazol2yl)pyrrolidin1yl)1oxopropan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542155
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)N1CCC(C@H)1c1nc2c(n1C)cccc2)C
InChI=1SC36H41N5O6c120(36(44)411791229(41)35392610781128(26)40(35)3)372716142324(1930(27)43)25(3821(2)42)1513221831(454)33(465)34(476)32(22)23h781011141618202529H912131517H216H3(H3743)(H3842)t202529m0s1
N((7S)123trimethoxy10(((2S)1((2S)2(1methyl1Hbenzimidazol2yl)pyrrolidin1yl)1oxopropan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1((S)2(1methyl1Hbenzo(d)imidazol2yl)pyrrolidin1yl)1oxopropan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585462
ZINC263585462

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Available files

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