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

Catalog ID
STL541402
SMILES COc1c(OC)ccc(c1OC)CN1CCN(CC1)C(=O)[C@H](C(C)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 C40H52N4O9 MW 732.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H52N4O9/c1-23(2)35(40(47)44-18-16-43(17-19-44)22-26-11-15-32(48-4)37(51-7)36(26)50-6)42-30-14-12-27-28(21-31(30)46)29(41-24(3)45)13-10-25-20-33(49-5)38(52-8)39(53-9)34(25)27/h11-12,14-15,20-21,23,29,35H,10,13,16-19,22H2,1-9H3,(H,41,45)(H,42,46
InChIKey
LATOODWWVGAHQU-YTWZBVJHSA-N
Synonyms
1574345-64-4
~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1(4((234trimethoxyphenyl)methyl)piperazin1yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574345644
75492419
COc1c(OC)ccc(c1OC)CN1CCN(CC1)C(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC40H52N4O9c123(2)35(40(47)44181643(171944)2226111532(484)37(517)36(26)506)423014122728(2131(30)46)29(4124(3)45)1310252033(495)38(528)39(539)34(25)27h111214152021232935H1013161922H219H3(H4145)(H4246)t2935m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(234trimethoxybenzyl)piperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)3methyl1oxo1(4(234trimethoxybenzyl)piperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653797
ZINC150653797

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Available files

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