Vitas-M small molecule compound

1-({4-[(1-hydroxycyclohexyl)ethynyl]phenyl}carbonyl)piperidine-4-carboxylic acid

Catalog ID
STK185398
SMILES O=C(c1ccc(cc1)C#CC1(O)CCCCC1)N1CCC(CC1)C(=O)O

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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c23-19(22-14-9-18(10-15-22)20(24)25)17-6-4-16(5-7-17)8-13-21(26)11-2-1-3-12-21/h4-7,18,26H,1-3,9-12,14-15H2,(H,24,25)
InChIKey
NBFBCVFGXITGLP-UHFFFAOYSA-N
Synonyms

1((4((1HYDROXYCYCLOHEXYL)ETHYNYL)PHENYL)CARBONYL)PIPERIDINE4CARBOXYLICACID
1(4(2(1HYDROXYCYCLOHEXYL)ETHYNYL)BENZOYL)PIPERIDINE4CARBOXYLICACID
C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O)O
InChI=1SC21H25NO4c2319(2214918(101522)20(24)25)176416(5717)81321(26)112131221h471826H139121415H2(H2425)
MFCD05856077
ZINC000001442702
ZINC1442702

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Available files

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