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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-(4-methoxyphenyl)-L-methioninamide

Catalog ID
STL541065
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)OC)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 C33H39N3O7S MW 621.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O7S/c1-19(37)34-25-13-7-20-17-29(41-3)31(42-4)32(43-5)30(20)23-12-14-26(28(38)18-24(23)25)36-27(15-16-44-6)33(39)35-21-8-10-22(40-2)11-9-21/h8-12,14,17-18,25,27H,7,13,15-16H2,1-6H3,(H,34,37)(H,35,39)(H,36,38)/t25-,27-/m0/s1
InChIKey
MRDYUWSMFHPWHO-BDYUSTAISA-N
Synonyms
1574345-85-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4methoxyphenyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxyphenyl)4(methylthio)butanamide
1574345859
75492567
CSCC(C@@H)(C(=O)Nc1ccc(cc1)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H39N3O7Sc119(37)3425137201729(413)31(424)32(435)30(20)23121426(28(38)1824(23)25)3627(1516446)33(39)352181022(402)11921h8121417182527H7131516H216H3(H3437)(H3539)(H3638)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxyphenyl)Lmethioninamide
ZINC000108451510
ZINC108451510

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Available files

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

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