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

Catalog ID
STL547781
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)cccc2)C(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 C37H43N5O6 MW 653.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43N5O6/c1-20(2)33(37(45)42-17-9-12-29(42)36-40-26-10-7-8-11-27(26)41-36)39-28-16-14-23-24(19-30(28)44)25(38-21(3)43)15-13-22-18-31(46-4)34(47-5)35(48-6)32(22)23/h7-8,10-11,14,16,18-20,25,29,33H,9,12-13,15,17H2,1-6H3,(H,38,43)(H,39,44)(H,40,41
InChIKey
WFPSIANDKUGJSU-ZAEJILDWSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1((2~(S))2(1~(H)benzimidazol2yl)pyrrolidin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541723
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)N1CCC(C@H)1c1nc2c((nH)1)cccc2)C(C)C
InChI=1SC37H43N5O6c120(2)33(37(45)421791229(42)36402610781127(26)4136)392816142324(1930(28)44)25(3821(3)43)1513221831(464)34(475)35(486)32(22)23h78101114161820252933H912131517H216H3(H3843)(H3944)(H4041)t252933m0s1
N((7S)10(((2S)1((2S)2(1Hbenzimidazol2yl)pyrrolidin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1((S)2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586625
ZINC263586625

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Available files

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