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

Catalog ID
STL540968
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCCCC(=O)N1CCC(CC1)c1nc2c([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 C39H47N5O6 MW 681.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H47N5O6/c1-24(45)41-29-15-13-26-22-34(48-2)37(49-3)38(50-4)36(26)27-14-16-32(33(46)23-28(27)29)40-19-9-5-6-12-35(47)44-20-17-25(18-21-44)39-42-30-10-7-8-11-31(30)43-39/h7-8,10-11,14,16,22-23,25,29H,5-6,9,12-13,15,17-21H2,1-4H3,(H,40,46)(H,41,4
InChIKey
CIGFSVGSCRVJJR-LJAQVGFWSA-N
Synonyms
1574353-37-9
(S)N(10((6(4(1Hbenzo(d)imidazol2yl)piperidin1yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((6(4(1~(H)benzimidazol2yl)piperidin1yl)6oxohexyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574353379
75492325
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCCCC(=O)N1CCC(CC1)c1nc2c((nH)1)cccc2
InChI=1SC39H47N5O6c124(45)41291513262234(482)37(493)38(504)36(26)27141632(33(46)2328(27)29)40199561235(47)44201725(182144)39423010781131(30)4339h781011141622232529H5691213151721H214H3(H4046)(H4145)(H4243)t29m0s1
N((7S)10((6(4(1Hbenzimidazol2yl)piperidin1yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653761
ZINC150653761

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Available files

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