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N-[(7S)-10-({(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-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
STL544629
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(C)C)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 C38H46N4O8 MW 686.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O8/c1-22(2)35(38(45)42-15-13-41(14-16-42)20-24-7-12-31-32(17-24)50-21-49-31)40-29-11-9-26-27(19-30(29)44)28(39-23(3)43)10-8-25-18-33(46-4)36(47-5)37(48-6)34(25)26/h7,9,11-12,17-19,22,28,35H,8,10,13-16,20-21H2,1-6H3,(H,39,43)(H,40,44)/t28-
InChIKey
VMDSTESPZXGKII-WJVKJDHCSA-N
Synonyms
1574342-94-1
~(N)((7~(S))10(((2~(S))1(4(13benzodioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574342941
75491290
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(C)C)NC(=O)C
InChI=1SC38H46N4O8c122(2)35(38(45)42151341(141642)20247123132(1724)50214931)40291192627(1930(29)44)28(3923(3)43)108251833(464)36(475)37(486)34(25)26h7911121719222835H81013162021H216H3(H3943)(H4044)t2835m0s1
N((7S)10(((2S)1(4(13benzodioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653154
ZINC150653154

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Available files

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