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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-(1H-pyrazol-1-yl)ethyl]-L-methioninamide

Catalog ID
STL550405
SMILES CSCC[C@@H](C(=O)NCCn1cccn1)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 C31H39N5O6S MW 609.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6S/c1-19(37)34-23-9-7-20-17-27(40-2)29(41-3)30(42-4)28(20)21-8-10-24(26(38)18-22(21)23)35-25(11-16-43-5)31(39)32-13-15-36-14-6-12-33-36/h6,8,10,12,14,17-18,23,25H,7,9,11,13,15-16H2,1-5H3,(H,32,39)(H,34,37)(H,35,38)/t23-,25-/m0/s1
InChIKey
PMTVFZOSQCXGNK-ZCYQVOJMSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(2pyrazol1ylethyl)butanamide
(S)N(2(1Hpyrazol1yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
125430543
CSCC(C@@H)(C(=O)NCCn1cccn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H39N5O6Sc119(37)342397201727(402)29(413)30(424)28(20)2181024(26(38)1822(21)23)3525(1116435)31(39)32131536146123336h6810121417182325H7911131516H215H3(H3239)(H3437)(H3538)t2325m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hpyrazol1yl)ethyl)Lmethioninamide
ZINC000524731930
ZINC524731930

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Available files

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

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