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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-[2-(4-hydroxyphenyl)ethyl]-L-leucinamide

Catalog ID
STL540384
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCc2ccc(cc2)O)CC(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 C35H43N3O7 MW 617.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O7/c1-20(2)17-29(35(42)36-16-15-22-7-10-24(40)11-8-22)38-28-14-12-25-26(19-30(28)41)27(37-21(3)39)13-9-23-18-31(43-4)33(44-5)34(45-6)32(23)25/h7-8,10-12,14,18-20,27,29,40H,9,13,15-17H2,1-6H3,(H,36,42)(H,37,39)(H,38,41)/t27-,29-/m0/s1
InChIKey
MQBVYFCSPCMTHD-YTMVLYRLSA-N
Synonyms
1574350-90-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(4hydroxyphenyl)ethyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4hydroxyphenethyl)4methylpentanamide
1574350905
75491817
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCc2ccc(cc2)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H43N3O7c120(2)1729(35(42)3616152271024(40)11822)382814122526(1930(28)41)27(3721(3)39)139231831(434)33(445)34(456)32(23)25h781012141820272940H9131517H216H3(H3642)(H3739)(H3841)t2729m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4hydroxyphenyl)ethyl)Lleucinamide
ZINC000108449625
ZINC108449625

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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