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

Catalog ID
STL546373
SMILES CC[C@H]([C@@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)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 C38H45N5O6 MW 667.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O6/c1-7-21(2)34(38(46)43-18-10-13-30(43)37-41-27-11-8-9-12-28(27)42-37)40-29-17-15-24-25(20-31(29)45)26(39-22(3)44)16-14-23-19-32(47-4)35(48-5)36(49-6)33(23)24/h8-9,11-12,15,17,19-21,26,30,34H,7,10,13-14,16,18H2,1-6H3,(H,39,44)(H,40,45)(H
InChIKey
BOCHSUSAEGNDCC-WMWYKDBUSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1((2~(S))2(1~(H)benzimidazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541643
CC(C@H)((C@@H)(C(=O)N1CCC(C@H)1c1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H45N5O6c1721(2)34(38(46)4318101330(43)37412711891228(27)4237)402917152425(2031(29)45)26(3922(3)44)1614231932(474)35(485)36(496)33(23)24h89111215171921263034H71013141618H216H3(H3944)(H4045)(H4142)t2126+30+34+m1s1
N((7S)10(((2S)1((2S)2(1Hbenzimidazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1((S)2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263584846
ZINC263584846

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Available files

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