Vitas-M small molecule compound
{(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK583862
SMILES COc1ccc(cc1NC(=O)[C@@]1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)[N+](=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 C21H20N4O9 MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O9/c1-32-17-7-4-13(25(30)31)8-15(17)23-20(29)21(10-19(27)28)9-16(24-34-21)12-2-5-14(6-3-12)33-11-18(22)26/h2-8H,9-11H2,1H3,(H2,22,26)(H,23,29)(H,27,28)/t21-/m0/s1InChIKey
CKWQVSKCFUPEGF-NRFANRHFSA-NSynonyms
1212362-55-4((5S)3(4(2amino2oxoethoxy)phenyl)5((2methoxy5nitrophenyl)carbamoyl)45dihydro12oxazol5yl)aceticacid
(S)2(3(4(2amino2oxoethoxy)phenyl)5((2methoxy5nitrophenyl)carbamoyl)45dihydroisoxazol5yl)aceticacid
1212362554
2((5S)3(4(2amino2oxoethoxy)phenyl)5((2methoxy5nitrophenyl)carbamoyl)4H12oxazol5yl)aceticacid
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C2(CC(=NO2)C3=CC=C(C=C3)OCC(=O)N)CC(=O)O
COc1ccc(cc1NC(=O)(C@@)1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)(N+)(=O)(O)
InChI=1SC21H20N4O9c132177413(25(30)31)815(17)2320(29)21(1019(27)28)916(243421)122514(6312)331118(22)26h28H911H21H3(H22226)(H2329)(H2728)t21m0s1
MFCD08284672
ZINC000009130123
ZINC9130123
Check stock
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Check stock on Vitas-MAvailable files
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