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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-(pyridin-4-yl)ethyl]-L-methioninamide

Catalog ID
STL545609
SMILES CSCC[C@@H](C(=O)NCCc1ccncc1)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 C33H40N4O6S MW 620.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O6S/c1-20(38)36-25-8-6-22-18-29(41-2)31(42-3)32(43-4)30(22)23-7-9-26(28(39)19-24(23)25)37-27(13-17-44-5)33(40)35-16-12-21-10-14-34-15-11-21/h7,9-11,14-15,18-19,25,27H,6,8,12-13,16-17H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t25-,27-/m0/s1
InChIKey
PGLLOWUQIWSHHV-BDYUSTAISA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(2pyridin4ylethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(2(pyridin4yl)ethyl)butanamide
110205950
CSCC(C@@H)(C(=O)NCCc1ccncc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H40N4O6Sc120(38)362586221829(412)31(423)32(434)30(22)237926(28(39)1924(23)25)3727(1317445)33(40)35161221101434151121h7911141518192527H6812131617H215H3(H3540)(H3638)(H3739)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(pyridin4yl)ethyl)Lmethioninamide
ZINC000253411896
ZINC253411896

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Available files

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