Vitas-M small molecule compound
{(5S)-5-[(2,5-dimethoxyphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK617302
SMILES COc1ccc(c(c1)NC(=O)[C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O)OC
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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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-28-17-10-11-19(29-2)18(12-17)23-21(27)22(14-20(25)26)13-16(24-30-22)9-8-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,23,27)(H,25,26)/b9-8+/t22-/m0/s1InChIKey
KYYLPCKJQJSKIM-UVIRAJKCSA-NSynonyms
((5S)5((25dimethoxyphenyl)carbamoyl)3((E)2phenylethenyl)45dihydro12oxazol5yl)aceticacid
(SE)2(5((25dimethoxyphenyl)carbamoyl)3styryl45dihydroisoxazol5yl)aceticacid
2((5S)5((25DIMETHOXYPHENYL)CARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ACETICACID
COC1=CC(=C(C=C1)OC)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)O
COc1ccc(c(c1)NC(=O)(C@@)1(ON=C(C1)C=Cc1ccccc1)CC(=O)O)OC
InChI=1SC22H22N2O6c12817101119(292)18(1217)2321(27)22(1420(25)26)1316(243022)98156435715h312H1314H212H3(H2327)(H2526)b98+t22m0s1
MFCD18246342
ZINC000006660722
ZINC6660722
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