Vitas-M small molecule compound
methyl 2-[3-(4-fluorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL347654
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)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 C19H15FN2O5S MW 402.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15FN2O5S/c1-8-9(2)28-18(12(8)19(25)26-3)22-16(23)13-14(21-27-15(13)17(22)24)10-4-6-11(20)7-5-10/h4-7,13,15H,1-3H3InChIKey
KIYVUJUGSROBIH-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)F)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1)F
InChI=1SC19H15FN2O5Sc189(2)2818(12(8)19(25)263)2216(23)1314(212715(13)17(22)24)104611(20)7510h471315H13H3
methyl2((3aR6aS)3(4fluorophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)45dimethylthiophene3carboxylate
methyl2(3(4fluorophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
METHYL2(3(4FLUOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD07206581
ZINC000016033699
ZINC000103526919
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