Vitas-M small molecule compound
{(5S)-5-[(2,6-dimethylphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK587266
SMILES OC(=O)C[C@]1(ON=C(C1)/C=C/c1ccccc1)C(=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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-15-7-6-8-16(2)20(15)23-21(27)22(14-19(25)26)13-18(24-28-22)12-11-17-9-4-3-5-10-17/h3-12H,13-14H2,1-2H3,(H,23,27)(H,25,26)/b12-11+/t22-/m0/s1InChIKey
HCIFICMXSJYTOM-LEQVUBRHSA-NSynonyms
((5S)5((26dimethylphenyl)carbamoyl)3((E)2phenylethenyl)45dihydro12oxazol5yl)aceticacid
(SE)2(5((26dimethylphenyl)carbamoyl)3styryl45dihydroisoxazol5yl)aceticacid
2((5S)5((26DIMETHYLPHENYL)CARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ACETICACID
CC1=C(C(=CC=C1)C)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)O
InChI=1SC22H22N2O4c11576816(2)20(15)2321(27)22(1419(25)26)1318(242822)12111794351017h312H1314H212H3(H2327)(H2526)b1211+t22m0s1
MFCD08284591
OC(=O)C(C@)1(ON=C(C1)C=Cc1ccccc1)C(=O)Nc1c(C)cccc1C
ZINC000005451727
ZINC5451727
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