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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-(dimethylsulfamoyl)ethyl]-L-leucinamide

Catalog ID
STL545960
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCS(=O)(=O)N(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C31H44N4O8S MW 632.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N4O8S/c1-18(2)15-25(31(38)32-13-14-44(39,40)35(4)5)34-24-12-10-21-22(17-26(24)37)23(33-19(3)36)11-9-20-16-27(41-6)29(42-7)30(43-8)28(20)21/h10,12,16-18,23,25H,9,11,13-15H2,1-8H3,(H,32,38)(H,33,36)(H,34,37)/t23-,25-/m0/s1
InChIKey
KTPKDSJOFZSMED-ZCYQVOJMSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(dimethylsulfamoyl)ethyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(NNdimethylsulfamoyl)ethyl)4methylpentanamide
121541502
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCS(=O)(=O)N(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H44N4O8Sc118(2)1525(31(38)32131444(3940)35(4)5)342412102122(1726(24)37)23(3319(3)36)119201627(416)29(427)30(438)28(20)21h101216182325H9111315H218H3(H3238)(H3336)(H3437)t2325m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(dimethylsulfamoyl)ethyl)Lleucinamide
ZINC000263585619
ZINC263585619

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Available files

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

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