Vitas-M small molecule compound
(3aR,6aS)-5-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL007437
SMILES COc1cccc(c1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C19H14ClFN2O5 MW 404.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN2O5/c1-26-13-5-3-4-10(16(13)27-2)15-14-17(28-22-15)19(25)23(18(14)24)9-6-7-12(21)11(20)8-9/h3-8,14,17H,1-2H3/t14-,17+/m1/s1InChIKey
KJADWYHUASFAQV-PBHICJAKSA-NSynonyms
1212362-85-0(3aR6aS)5(3chloro4fluorophenyl)3(23dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(3chloro4fluorophenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(3chloro4fluorophenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212362850
COC1=CC=CC(=C1OC)C2=NOC3C2C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl
COc1cccc(c1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
InChI=1SC19H14ClFN2O5c1261353410(16(13)272)151417(282215)19(25)23(18(14)24)96712(21)11(20)89h381417H12H3t1417+m1s1
MFCD18247168
ZINC000101304594
ZINC101304594
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