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

Catalog ID
STL546159
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCC(=O)N1CCC[C@H]1c1nc2c(n1C)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 C35H39N5O6 MW 625.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O6/c1-20(41)37-24-14-12-21-17-30(44-3)33(45-4)34(46-5)32(21)22-13-15-26(29(42)18-23(22)24)36-19-31(43)40-16-8-11-28(40)35-38-25-9-6-7-10-27(25)39(35)2/h6-7,9-10,13,15,17-18,24,28H,8,11-12,14,16,19H2,1-5H3,(H,36,42)(H,37,41)/t24-,28-/m0/s1
InChIKey
KSTILIBQPCNEMJ-CUBQBAPOSA-N
Synonyms

~(N)((7~(S))123trimethoxy10((2((2~(S))2(1methylbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541264
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCC(=O)N1CCC(C@H)1c1nc2c(n1C)cccc2
InChI=1SC35H39N5O6c120(41)37241412211730(443)33(454)34(465)32(21)22131526(29(42)1823(22)24)361931(43)401681128(40)3538259671027(25)39(35)2h67910131517182428H81112141619H215H3(H3642)(H3741)t2428m0s1
N((7S)123trimethoxy10((2((2S)2(1methyl1Hbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10((2((S)2(1methyl1Hbenzo(d)imidazol2yl)pyrrolidin1yl)2oxoethyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585618
ZINC263585618

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Available files

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