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N-[(7S)-10-({(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL541807
SMILES CC[C@H]([C@@H](C(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C39H47N5O6 MW 681.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H47N5O6/c1-7-22(2)35(39(47)44-18-16-24(17-19-44)38-42-29-10-8-9-11-30(29)43-38)41-31-15-13-26-27(21-32(31)46)28(40-23(3)45)14-12-25-20-33(48-4)36(49-5)37(50-6)34(25)26/h8-11,13,15,20-22,24,28,35H,7,12,14,16-19H2,1-6H3,(H,40,45)(H,41,46)(H,42,4
InChIKey
YUGNBXNMTNFZGV-KEOAVVEJSA-N
Synonyms
1574291-68-1
~(N)((7~(S))10(((2~(S)3~(R))1(4(1~(H)benzimidazol2yl)piperidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574291681
75491703
CC(C@H)((C@@H)(C(=O)N1CCC(CC1)c1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H47N5O6c1722(2)35(39(47)44181624(171944)38422910891130(29)4338)413115132627(2132(31)46)28(4023(3)45)1412252033(484)36(495)37(506)34(25)26h81113152022242835H712141619H216H3(H4045)(H4146)(H4243)t2228+35+m1s1
N((7S)10(((2S)1(4(1Hbenzimidazol2yl)piperidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4(1Hbenzo(d)imidazol2yl)piperidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653428
ZINC150653428

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Available files

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