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

Catalog ID
STL543624
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)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 C33H43N3O8S MW 641.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O8S/c1-19(37)34-24-9-7-21-17-28(41-2)30(42-3)31(43-4)29(21)22-8-10-25(27(38)18-23(22)24)35-26(13-16-45-6)32(39)36-14-11-20(12-15-36)33(40)44-5/h8,10,17-18,20,24,26H,7,9,11-16H2,1-6H3,(H,34,37)(H,35,38)/t24-,26-/m0/s1
InChIKey
BGAGNTZTRNZLCC-AHWVRZQESA-N
Synonyms

110205958
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H43N3O8Sc119(37)342497211728(412)30(423)31(434)29(21)2281025(27(38)1823(22)24)3526(1316456)32(39)36141120(121536)33(40)445h8101718202426H791116H216H3(H3437)(H3538)t2426m0s1
methyl1((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)piperidine4carboxylate
methyl1((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)piperidine4carboxylate
methyl1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)piperidine4carboxylate
ZINC000253396749
ZINC253396749

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Available files

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

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