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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-[3-(1H-imidazol-1-yl)propyl]-L-methioninamide

Catalog ID
STL546406
SMILES CSCC[C@@H](C(=O)NCCCn1cncc1)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 C32H41N5O6S MW 623.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N5O6S/c1-20(38)35-24-9-7-21-17-28(41-2)30(42-3)31(43-4)29(21)22-8-10-25(27(39)18-23(22)24)36-26(11-16-44-5)32(40)34-12-6-14-37-15-13-33-19-37/h8,10,13,15,17-19,24,26H,6-7,9,11-12,14,16H2,1-5H3,(H,34,40)(H,35,38)(H,36,39)/t24-,26-/m0/s1
InChIKey
JQEIJLTUWWHBAG-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3imidazol1ylpropyl)4methylsulfanylbutanamide
(S)N(3(1Himidazol1yl)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
110207430
CSCC(C@@H)(C(=O)NCCCn1cncc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H41N5O6Sc120(38)352497211728(412)30(423)31(434)29(21)2281025(27(39)1823(22)24)3626(1116445)32(40)3412614371513331937h810131517192426H67911121416H215H3(H3440)(H3538)(H3639)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1Himidazol1yl)propyl)Lmethioninamide
ZINC000253407194
ZINC253407194

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Available files

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

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