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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-L-alaninamide

Catalog ID
STL550716
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCCCc2nnc3n2cccc3)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 C35H42N6O6 MW 642.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N6O6/c1-21(35(44)36-17-9-6-7-11-30-39-40-31-12-8-10-18-41(30)31)37-27-16-14-24-25(20-28(27)43)26(38-22(2)42)15-13-23-19-29(45-3)33(46-4)34(47-5)32(23)24/h8,10,12,14,16,18-21,26H,6-7,9,11,13,15,17H2,1-5H3,(H,36,44)(H,37,43)(H,38,42)/t21-,26-
InChIKey
PNLMHUVFBAYVKP-LVXARBLLSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5((124)triazolo(43a)pyridin3yl)pentyl)propanamide
(S)N(5((124)triazolo(43a)pyridin3yl)pentyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
127253503
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCCCc2nnc3n2cccc3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H42N6O6c121(35(44)36179671130394031128101841(30)31)372716142425(2028(27)43)26(3822(2)42)1513231929(453)33(464)34(475)32(23)24h810121416182126H67911131517H215H3(H3644)(H3743)(H3842)t2126m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5((124)triazolo(43a)pyridin3yl)pentyl)Lalaninamide
ZINC000604404557
ZINC604404557

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Available files

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