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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-[1-(2-methoxyethyl)-1H-indol-4-yl]-L-methioninamide

Catalog ID
STL542479
SMILES COCCn1ccc2c1cccc2NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CCSC

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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 C37H44N4O7S MW 688.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O7S/c1-22(42)38-28-12-10-23-20-33(46-3)35(47-4)36(48-5)34(23)24-11-13-29(32(43)21-26(24)28)39-30(15-19-49-6)37(44)40-27-8-7-9-31-25(27)14-16-41(31)17-18-45-2/h7-9,11,13-14,16,20-21,28,30H,10,12,15,17-19H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)
InChIKey
KVIWTPNREWEUJW-JDXGNMNLSA-N
Synonyms
1574398-52-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(2methoxyethyl)indol4yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(2methoxyethyl)1Hindol4yl)4(methylthio)butanamide
1574398529
75491003
COCCn1ccc2c1cccc2NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CCSC
InChI=1SC37H44N4O7Sc122(42)38281210232033(463)35(474)36(485)34(23)24111329(32(43)2126(24)28)3930(1519496)37(44)40278793125(27)141641(31)1718452h791113141620212830H1012151719H216H3(H3842)(H3943)(H4044)t2830m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(2methoxyethyl)1Hindol4yl)Lmethioninamide
ZINC000150652951
ZINC150652951

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Available files

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