Vitas-M small molecule compound
{(5S)-5-[(3-chloro-2-methylphenyl)carbamoyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]-4,5-dihydro-1,2-oxazol-5-yl}acetic acid
Catalog ID
STK591711
SMILES N#CCOc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1cccc(c1C)Cl
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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 C22H20ClN3O6 MW 457.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O6/c1-13-15(23)4-3-5-16(13)25-21(29)22(12-20(27)28)11-17(26-32-22)14-6-7-18(31-9-8-24)19(10-14)30-2/h3-7,10H,9,11-12H2,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1InChIKey
XIMUMLHQCWEPJD-QFIPXVFZSA-NSynonyms
1212425-62-1((5S)5((3chloro2methylphenyl)carbamoyl)3(4(cyanomethoxy)3methoxyphenyl)45dihydro12oxazol5yl)aceticacid
(S)2(5((3chloro2methylphenyl)carbamoyl)3(4(cyanomethoxy)3methoxyphenyl)45dihydroisoxazol5yl)aceticacid
1212425621
2((5S)5((3chloro2methylphenyl)carbamoyl)3(4(cyanomethoxy)3methoxyphenyl)4H12oxazol5yl)aceticacid
CC1=C(C=CC=C1Cl)NC(=O)C2(CC(=NO2)C3=CC(=C(C=C3)OCC#N)OC)CC(=O)O
InChI=1SC22H20ClN3O6c11315(23)43516(13)2521(29)22(1220(27)28)1117(263222)146718(319824)19(1014)302h3710H91112H212H3(H2529)(H2728)t22m0s1
MFCD08284660
N#CCOc1ccc(cc1OC)C1=NO(C@@)(C1)(CC(=O)O)C(=O)Nc1cccc(c1C)Cl
ZINC000009130090
ZINC9130090
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