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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-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-L-methioninamide

Catalog ID
STL549181
SMILES CSCC[C@@H](C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)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 C36H50N4O6S MW 666.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H50N4O6S/c1-22(41)38-27-13-11-23-19-32(44-2)34(45-3)35(46-4)33(23)25-12-14-28(31(42)20-26(25)27)39-29(15-18-47-5)36(43)37-21-24-9-8-17-40-16-7-6-10-30(24)40/h12,14,19-20,24,27,29-30H,6-11,13,15-18,21H2,1-5H3,(H,37,43)(H,38,41)(H,39,42)/t24-,27
InChIKey
BTEWVFFQWJXYEC-WSOBSPQKSA-N
Synonyms

(2~(S))~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)butanamide
121541379
CSCC(C@@H)(C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H50N4O6Sc122(41)38271311231932(442)34(453)35(464)33(23)25121428(31(42)2026(25)27)3929(1518475)36(43)37212498174016761030(24)40h1214192024272930H61113151821H215H3(H3743)(H3841)(H3942)t24272930+m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)Lmethioninamide
ZINC000263584878
ZINC263584878

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Available files

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