Vitas-M small molecule compound
(3aR,6aS)-5-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL007451
SMILES COc1cccc(c1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F
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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 C20H14ClF3N2O5 MW 454.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClF3N2O5/c1-29-13-5-3-4-10(16(13)30-2)15-14-17(31-25-15)19(28)26(18(14)27)12-8-9(20(22,23)24)6-7-11(12)21/h3-8,14,17H,1-2H3/t14-,17+/m1/s1InChIKey
OHIBPSHVSRSEJE-PBHICJAKSA-NSynonyms
1212191-54-2(3aR6aS)5(2chloro5(trifluoromethyl)phenyl)3(23dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(2chloro5(trifluoromethyl)phenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(2chloro5(trifluoromethyl)phenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212191542
COC1=CC=CC(=C1OC)C2=NOC3C2C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl
COc1cccc(c1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F
InChI=1SC20H14ClF3N2O5c1291353410(16(13)302)151417(312515)19(28)26(18(14)27)1289(20(2223)24)6711(12)21h381417H12H3t1417+m1s1
MFCD18247169
ZINC000101273968
ZINC101273968
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