Vitas-M small molecule compound

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

Catalog ID
STL524586
SMILES COC(=O)[C@@H](NC(=O)C1(OC(=O)C)CC(OC(=O)C)C(C(C1)OC(=O)C)OC(=O)C)Cc1ccccc1

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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 C25H31NO11 MW 521.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO11/c1-14(27)34-20-12-25(37-17(4)30,13-21(35-15(2)28)22(20)36-16(3)29)24(32)26-19(23(31)33-5)11-18-9-7-6-8-10-18/h6-10,19-22H,11-13H2,1-5H3,(H,26,32)/t19-,20?,21?,22?,25?/m0/s1
InChIKey
RAULZWBDMGIBHY-HMNVQUIHSA-N
Synonyms
309964-74-7
(1S2R3S5R)5(((S)1methoxy1oxo3phenylpropan2yl)carbamoyl)cyclohexane1235tetrayltetraacetate
16395292
309964747
COC(=O)(C@@H)(NC(=O)C1(OC(=O)C)CC(OC(=O)C)C(C(C1)OC(=O)C)OC(=O)C)Cc1ccccc1
InChI=1SC25H31NO11c114(27)34201225(3717(4)301321(3515(2)28)22(20)3616(3)29)24(32)2619(23(31)335)111897681018h6101922H1113H215H3(H2632)t1920?21?22?25?m0s1
methyl(2~(S))3phenyl2((1345tetraacetyloxycyclohexanecarbonyl)amino)propanoate
methylN((1345tetrakis(acetyloxy)cyclohexyl)carbonyl)Lphenylalaninate
MFCD01544423
ZINC000012653830
ZINC000252694873

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Available files

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