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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pentan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL549620
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)Cc1cccnc1)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 C37H47N5O6 MW 657.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H47N5O6/c1-7-23(2)34(37(45)42-17-15-41(16-18-42)22-25-9-8-14-38-21-25)40-30-13-11-27-28(20-31(30)44)29(39-24(3)43)12-10-26-19-32(46-4)35(47-5)36(48-6)33(26)27/h8-9,11,13-14,19-21,23,29,34H,7,10,12,15-18,22H2,1-6H3,(H,39,43)(H,40,44)/t23-,29+,3
InChIKey
WRAGRMYSRBVCLK-GOJUJFHUSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4(pyridin3ylmethyl)piperazin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127252567
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)Cc1cccnc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H47N5O6c1723(2)34(37(45)42171541(161842)22259814382125)403013112728(2031(30)44)29(3924(3)43)1210261932(464)35(475)36(486)33(26)27h891113141921232934H71012151822H216H3(H3943)(H4044)t2329+34+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(pyridin3ylmethyl)piperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((2S3R)3methyl1oxo1(4(pyridin3ylmethyl)piperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604405900
ZINC604405900

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Available files

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