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

Catalog ID
STL543923
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C31H42N4O8S2 MW 662.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N4O8S2/c1-19(36)32-23-9-7-20-17-27(41-2)29(42-3)30(43-4)28(20)21-8-10-24(26(37)18-22(21)23)33-25(11-16-44-5)31(38)34-12-14-35(15-13-34)45(6,39)40/h8,10,17-18,23,25H,7,9,11-16H2,1-6H3,(H,32,36)(H,33,37)/t23-,25-/m0/s1
InChIKey
IQLSTLJMNCSZSH-ZCYQVOJMSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1(4methylsulfonylpiperazin1yl)1oxobutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110206151
CSCC(C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H42N4O8S2c119(36)322397201727(412)29(423)30(434)28(20)2181024(26(37)1822(21)23)3325(1116445)31(38)34121435(151334)45(639)40h81017182325H791116H216H3(H3236)(H3337)t2325m0s1
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1(4(methylsulfonyl)piperazin1yl)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1(4(methylsulfonyl)piperazin1yl)4(methylthio)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253406013
ZINC253406013

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Available files

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