Vitas-M small molecule compound

3-{[(4-tert-butylphenyl)carbonyl]amino}-3-(4-ethoxyphenyl)propanoic acid

Catalog ID
STK680896
SMILES CCOc1ccc(cc1)C(NC(=O)c1ccc(cc1)C(C)(C)C)CC(=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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-5-27-18-12-8-15(9-13-18)19(14-20(24)25)23-21(26)16-6-10-17(11-7-16)22(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKey
CWKVBZAPFQTZFT-UHFFFAOYSA-N
Synonyms

(3R)3((4TERTBUTYLBENZOYL)AMINO)3(4ETHOXYPHENYL)PROPANOICACID
(3S)3((4TERTBUTYLBENZOYL)AMINO)3(4ETHOXYPHENYL)PROPANOICACID
3(((4tertbutylphenyl)carbonyl)amino)3(4ethoxyphenyl)propanoicacid
3((4TERTBUTYLBENZOYL)AMINO)3(4ETHOXYPHENYL)PROPANOICACID
CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI=1SC22H27NO4c15271812815(91318)19(1420(24)25)2321(26)1661017(11716)22(23)4h61319H514H214H3(H2326)(H2425)
MFCD03767693
ZINC000004581051
ZINC000004581052

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Available files

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