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

Catalog ID
STL550013
SMILES CC[C@H]([C@@H](C(=O)N1CCCCC1c1nc2c(n1C)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 C40H49N5O6 MW 695.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H49N5O6/c1-8-23(2)36(40(48)45-20-12-11-15-32(45)39-43-29-13-9-10-14-31(29)44(39)4)42-30-19-17-26-27(22-33(30)47)28(41-24(3)46)18-16-25-21-34(49-5)37(50-6)38(51-7)35(25)26/h9-10,13-14,17,19,21-23,28,32,36H,8,11-12,15-16,18,20H2,1-7H3,(H,41,46)(
InChIKey
CQXOMHQKQSPSFO-XPQYQVDLSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1(2(1methylbenzimidazol2yl)piperidin1yl)1oxopentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253891
CC(C@H)((C@@H)(C(=O)N1CCCCC1c1nc2c(n1C)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC40H49N5O6c1823(2)36(40(48)452012111532(45)394329139101431(29)44(39)4)423019172627(2233(30)47)28(4124(3)46)1816252134(495)37(506)38(517)35(25)26h910131417192123283236H8111215161820H217H3(H4146)(H4247)t2328+32?36+m1s1
N((7S)123trimethoxy10(((2S)3methyl1(2(1methyl1Hbenzimidazol2yl)piperidin1yl)1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)123trimethoxy10(((2S3R)3methyl1(2(1methyl1Hbenzo(d)imidazol2yl)piperidin1yl)1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604403900
ZINC000604403901

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Available files

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