Vitas-M small molecule compound
{(5S)-5-[(4-methoxyphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK580084
SMILES COc1ccc(cc1)NC(=O)[C@@]1(ON=C(C1)/C=C/c1ccccc1)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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-27-18-11-9-16(10-12-18)22-20(26)21(14-19(24)25)13-17(23-28-21)8-7-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,22,26)(H,24,25)/b8-7+/t21-/m0/s1InChIKey
PRYUSEUOYNGVIZ-CQQBXOTJSA-NSynonyms
((5S)5((4methoxyphenyl)carbamoyl)3((E)2phenylethenyl)45dihydro12oxazol5yl)aceticacid
(SE)2(5((4methoxyphenyl)carbamoyl)3styryl45dihydroisoxazol5yl)aceticacid
2((5S)5((4METHOXYPHENYL)CARBAMOYL)3((E)2PHENYLETHENYL)4H12OXAZOL5YL)ACETICACID
COC1=CC=C(C=C1)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)O
COc1ccc(cc1)NC(=O)(C@@)1(ON=C(C1)C=Cc1ccccc1)CC(=O)O
InChI=1SC21H20N2O5c1271811916(101218)2220(26)21(1419(24)25)1317(232821)87155324615h212H1314H21H3(H2226)(H2425)b87+t21m0s1
MFCD08284588
ZINC000005451685
ZINC5451685
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