Vitas-M small molecule compound

methyl N-{[1,3,4,5-tetrakis(acetyloxy)cyclohexyl]carbonyl}-D-tryptophanate

Catalog ID
STL547559
SMILES COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)C1(OC(=O)C)CC(OC(=O)C)C(C(C1)OC(=O)C)OC(=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 C27H32N2O11 MW 560.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O11/c1-14(30)37-22-11-27(40-17(4)33,12-23(38-15(2)31)24(22)39-16(3)32)26(35)29-21(25(34)36-5)10-18-13-28-20-9-7-6-8-19(18)20/h6-9,13,21-24,28H,10-12H2,1-5H3,(H,29,35)/t21-,22?,23?,24?,27?/m1/s1
InChIKey
HQJMMMNUCZFHGX-IMDGPYFBSA-N
Synonyms
1029050-42-7
(1S2R3S5R)5(((R)3(1Hindol3yl)1methoxy1oxopropan2yl)carbamoyl)cyclohexane1235tetrayltetraacetate
1029050427
16395681
COC(=O)(C@@H)(Cc1c(nH)c2c1cccc2)NC(=O)C1(OC(=O)C)CC(OC(=O)C)C(C(C1)OC(=O)C)OC(=O)C
InChI=1SC27H32N2O11c114(30)37221127(4017(4)331223(3815(2)31)24(22)3916(3)32)26(35)2921(25(34)365)1018132820976819(18)20h6913212428H1012H215H3(H2935)t2122?23?24?27?m1s1
methyl(2~(R))3(1~(H)indol3yl)2((1345tetraacetyloxycyclohexanecarbonyl)amino)propanoate
methylN((1345tetrakis(acetyloxy)cyclohexyl)carbonyl)Dtryptophanate
MFCD01545972
ZINC000070665362
ZINC000252694051

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Available files

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