Vitas-M small molecule compound
[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
Catalog ID
STK591322
SMILES COc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C
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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 C22H22N2O7 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O7/c1-13(25)14-4-7-16(8-5-14)23-21(28)22(12-20(26)27)11-17(24-31-22)15-6-9-18(29-2)19(10-15)30-3/h4-10H,11-12H2,1-3H3,(H,23,28)(H,26,27)/t22-/m0/s1InChIKey
LPRHALGOEHUHHL-QFIPXVFZSA-NSynonyms
1212268-72-8((5S)5((4acetylphenyl)carbamoyl)3(34dimethoxyphenyl)45dihydro12oxazol5yl)aceticacid
(S)2(5((4acetylphenyl)carbamoyl)3(34dimethoxyphenyl)45dihydroisoxazol5yl)aceticacid
1212268728
2((5S)5((4acetylphenyl)carbamoyl)3(34dimethoxyphenyl)4H12oxazol5yl)aceticacid
CC(=O)C1=CC=C(C=C1)NC(=O)C2(CC(=NO2)C3=CC(=C(C=C3)OC)OC)CC(=O)O
COc1ccc(cc1OC)C1=NO(C@@)(C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C
InChI=1SC22H22N2O7c113(25)144716(8514)2321(28)22(1220(26)27)1117(243122)156918(292)19(1015)303h410H1112H213H3(H2328)(H2627)t22m0s1
MFCD08284563
ZINC000013591722
ZINC13591722
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