Vitas-M small molecule compound

[(5S)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-5-(cyclohexylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid

Catalog ID
STK613348
SMILES N#CCOc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)NC1CCCCC1

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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 C21H25N3O6 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6/c1-28-18-11-14(7-8-17(18)29-10-9-22)16-12-21(30-24-16,13-19(25)26)20(27)23-15-5-3-2-4-6-15/h7-8,11,15H,2-6,10,12-13H2,1H3,(H,23,27)(H,25,26)/t21-/m0/s1
InChIKey
FLMZSJWOHUVSBK-NRFANRHFSA-N
Synonyms
1212333-45-3
((5S)3(4(cyanomethoxy)3methoxyphenyl)5(cyclohexylcarbamoyl)45dihydro12oxazol5yl)aceticacid
(S)2(3(4(cyanomethoxy)3methoxyphenyl)5(cyclohexylcarbamoyl)45dihydroisoxazol5yl)aceticacid
1212333453
2((5S)3(4(CYANOMETHOXY)3METHOXYPHENYL)5(CYCLOHEXYLCARBAMOYL)4H12OXAZOL5YL)ACETICACID
COC1=C(C=CC(=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3CCCCC3)OCC#N
InChI=1SC21H25N3O6c128181114(7817(18)2910922)161221(3024161319(25)26)20(27)23155324615h781115H26101213H21H3(H2327)(H2526)t21m0s1
MFCD18246290
N#CCOc1ccc(cc1OC)C1=NO(C@@)(C1)(CC(=O)O)C(=O)NC1CCCCC1
ZINC000006660569
ZINC6660569

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Available files

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