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ethyl 4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}piperazine-1-carboxylate

Catalog ID
STL544350
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)C(=O)OCC)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 C33H44N4O8S MW 656.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O8S/c1-7-45-33(41)37-15-13-36(14-16-37)32(40)26(12-17-46-6)35-25-11-9-22-23(19-27(25)39)24(34-20(2)38)10-8-21-18-28(42-3)30(43-4)31(44-5)29(21)22/h9,11,18-19,24,26H,7-8,10,12-17H2,1-6H3,(H,34,38)(H,35,39)/t24-,26-/m0/s1
InChIKey
HSUGBSPPJWDPMK-AHWVRZQESA-N
Synonyms
1574353-36-8
1574353368
75491423
CSCC(C@@H)(C(=O)N1CCN(CC1)C(=O)OCC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ethyl4((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)piperazine1carboxylate
ethyl4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)piperazine1carboxylate
ethyl4(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)piperazine1carboxylate
InChI=1SC33H44N4O8Sc174533(41)37151336(141637)32(40)26(1217466)35251192223(1927(25)39)24(3420(2)38)108211828(423)30(434)31(445)29(21)22h91118192426H78101217H216H3(H3438)(H3539)t2426m0s1
ZINC000150653233
ZINC150653233

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Available files

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

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