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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-alanyl}amino)methyl]cyclohexyl}acetate

Catalog ID
STL543499
SMILES COC(=O)CC1(CCCCC1)CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C34H45N3O8 MW 623.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O8/c1-20(33(41)35-19-34(18-29(40)43-4)14-8-7-9-15-34)36-26-13-11-23-24(17-27(26)39)25(37-21(2)38)12-10-22-16-28(42-3)31(44-5)32(45-6)30(22)23/h11,13,16-17,20,25H,7-10,12,14-15,18-19H2,1-6H3,(H,35,41)(H,36,39)(H,37,38)/t20-,25-/m0/s1
InChIKey
WQQXGEWOAZFNFK-CPJSRVTESA-N
Synonyms

110207431
COC(=O)CC1(CCCCC1)CNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H45N3O8c120(33(41)351934(1829(40)434)148791534)362613112324(1727(26)39)25(3721(2)38)1210221628(423)31(445)32(456)30(22)23h111316172025H7101214151819H216H3(H3541)(H3639)(H3738)t2025m0s1
methyl(1(((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)amino)methyl)cyclohexyl)acetate
methyl2(1((((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)methyl)cyclohexyl)acetate
methyl2(1(((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)methyl)cyclohexyl)acetate
ZINC000253414179
ZINC253414179

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Available files

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

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