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methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-L-methioninate

Catalog ID
STL545363
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)CCSC)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 C32H43N3O8S2 MW 661.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8S2/c1-18(36)33-22-10-8-19-16-27(40-2)29(41-3)30(42-4)28(19)20-9-11-23(26(37)17-21(20)22)34-24(12-14-44-6)31(38)35-25(13-15-45-7)32(39)43-5/h9,11,16-17,22,24-25H,8,10,12-15H2,1-7H3,(H,33,36)(H,34,37)(H,35,38)/t22-,24-,25-/m0/s1
InChIKey
UROXWPVRVYZKDE-HVCNVCAESA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)4(methylthio)butanoate
110207298
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)CCSC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H43N3O8S2c118(36)3322108191627(402)29(413)30(424)28(19)2091123(26(37)1721(20)22)3424(1214446)31(38)3525(1315457)32(39)435h9111617222425H8101215H217H3(H3336)(H3437)(H3538)t222425m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)4methylsulfanylbutanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLmethioninate
ZINC000253413396
ZINC253413396

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Available files

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

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