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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-(pyridin-4-ylmethyl)-L-methioninamide

Catalog ID
STL540725
SMILES CSCC[C@@H](C(=O)NCc1ccncc1)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 C32H38N4O6S MW 606.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O6S/c1-19(37)35-24-8-6-21-16-28(40-2)30(41-3)31(42-4)29(21)22-7-9-25(27(38)17-23(22)24)36-26(12-15-43-5)32(39)34-18-20-10-13-33-14-11-20/h7,9-11,13-14,16-17,24,26H,6,8,12,15,18H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t24-,26-/m0/s1
InChIKey
QUZNIWXEXIAKSX-AHWVRZQESA-N
Synonyms
1574392-22-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(pyridin4ylmethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(pyridin4ylmethyl)butanamide
1574392225
75491986
CSCC(C@@H)(C(=O)NCc1ccncc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H38N4O6Sc119(37)352486211628(402)30(413)31(424)29(21)227925(27(38)1723(22)24)3626(1215435)32(39)341820101333141120h7911131416172426H68121518H215H3(H3439)(H3537)(H3638)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(pyridin4ylmethyl)Lmethioninamide
ZINC000108450022
ZINC108450022

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Available files

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

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