Vitas-M small molecule compound
[(5S)-5-[(2,6-dimethylphenyl)carbamoyl]-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
Catalog ID
STK611516
SMILES O=C([C@@]1(ON=C(C1)c1ccc(cc1)C)CC(=O)O)Nc1c(C)cccc1C
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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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-13-7-9-16(10-8-13)17-11-21(27-23-17,12-18(24)25)20(26)22-19-14(2)5-4-6-15(19)3/h4-10H,11-12H2,1-3H3,(H,22,26)(H,24,25)/t21-/m0/s1InChIKey
HJZSELUCFYHAGH-NRFANRHFSA-NSynonyms
1212421-79-8((5S)5((26dimethylphenyl)carbamoyl)3(4methylphenyl)45dihydro12oxazol5yl)aceticacid
(S)2(5((26dimethylphenyl)carbamoyl)3(ptolyl)45dihydroisoxazol5yl)aceticacid
1212421798
2((5S)5((26DIMETHYLPHENYL)CARBAMOYL)3(4METHYLPHENYL)4H12OXAZOL5YL)ACETICACID
CC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3=C(C=CC=C3C)C
InChI=1SC21H22N2O4c1137916(10813)171121(2723171218(24)25)20(26)221914(2)54615(19)3h410H1112H213H3(H2226)(H2425)t21m0s1
MFCD08288939
O=C((C@@)1(ON=C(C1)c1ccc(cc1)C)CC(=O)O)Nc1c(C)cccc1C
ZINC000006756634
ZINC6756634
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