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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL541912
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)c2ccccn2)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C35H43N5O6 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N5O6/c1-21(2)32(35(43)40-17-15-39(16-18-40)30-9-7-8-14-36-30)38-27-13-11-24-25(20-28(27)42)26(37-22(3)41)12-10-23-19-29(44-4)33(45-5)34(46-6)31(23)24/h7-9,11,13-14,19-21,26,32H,10,12,15-18H2,1-6H3,(H,37,41)(H,38,42)/t26-,32-/m0/s1
InChIKey
FCSYSDFJBWBCOC-IEWVHIKDSA-N
Synonyms
1574346-78-3
~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1(4pyridin2ylpiperazin1yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574346783
75492446
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCN(CC2)c2ccccn2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H43N5O6c121(2)32(35(43)40171539(161840)30978143630)382713112425(2028(27)42)26(3722(3)41)1210231929(444)33(455)34(466)31(23)24h7911131419212632H10121518H216H3(H3741)(H3842)t2632m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(pyridin2yl)piperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)3methyl1oxo1(4(pyridin2yl)piperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108451204
ZINC108451204

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Available files

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