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

Catalog ID
STL551215
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)N1CCC[C@H]1c1nc2c([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 C36H41N5O6 MW 639.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N5O6/c1-21(42)38-25-15-13-22-19-31(45-2)34(46-3)35(47-4)33(22)23-14-16-28(30(43)20-24(23)25)37-17-7-12-32(44)41-18-8-11-29(41)36-39-26-9-5-6-10-27(26)40-36/h5-6,9-10,14,16,19-20,25,29H,7-8,11-13,15,17-18H2,1-4H3,(H,37,43)(H,38,42)(H,39,40)/
InChIKey
PYKUVHUHTUWSSJ-SVEHJYQDSA-N
Synonyms

~(N)((7~(S))10((4((2~(S))2(1~(H)benzimidazol2yl)pyrrolidin1yl)4oxobutyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253680
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)N1CCC(C@H)1c1nc2c((nH)1)cccc2
InChI=1SC36H41N5O6c121(42)38251513221931(452)34(463)35(474)33(22)23141628(30(43)2024(23)25)371771232(44)411881129(41)3639269561027(26)4036h56910141619202529H781113151718H214H3(H3743)(H3842)(H3940)t2529m0s1
N((7S)10((4((2S)2(1Hbenzimidazol2yl)pyrrolidin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10((4((S)2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604404654
ZINC604404654

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Available files

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