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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-(2-oxopyrrolidin-1-yl)ethyl]-L-methioninamide

Catalog ID
STL547338
SMILES CSCC[C@@H](C(=O)NCCN1CCCC1=O)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 C32H42N4O7S MW 626.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N4O7S/c1-19(37)34-23-10-8-20-17-27(41-2)30(42-3)31(43-4)29(20)21-9-11-24(26(38)18-22(21)23)35-25(12-16-44-5)32(40)33-13-15-36-14-6-7-28(36)39/h9,11,17-18,23,25H,6-8,10,12-16H2,1-5H3,(H,33,40)(H,34,37)(H,35,38)/t23-,25-/m0/s1
InChIKey
PMKXOQVXLVOSJT-ZCYQVOJMSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(2(2oxopyrrolidin1yl)ethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(2(2oxopyrrolidin1yl)ethyl)butanamide
121541212
CSCC(C@@H)(C(=O)NCCN1CCCC1=O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H42N4O7Sc119(37)3423108201727(412)30(423)31(434)29(20)2191124(26(38)1822(21)23)3525(1216445)32(40)33131536146728(36)39h91117182325H68101216H215H3(H3340)(H3437)(H3538)t2325m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2oxopyrrolidin1yl)ethyl)Lmethioninamide
ZINC000263586065
ZINC263586065

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Available files

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

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