Vitas-M small molecule compound
(3aR,6aS)-5-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK579134
SMILES COc1cc(ccc1OC)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/c1-26-13-6-3-9(7-14(13)27-2)16-15-17(28-22-16)19(25)23(18(15)24)10-4-5-12(21)11(20)8-10/h3-8,15,17H,1-2H3/t15-,17+/m1/s1InChIKey
ZDVHEGKWROSICS-WBVHZDCISA-NSynonyms
1212183-11-3(3aR6aS)5(3chloro4fluorophenyl)3(34dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(3chloro4fluorophenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(3chloro4fluorophenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212183113
COC1=C(C=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)OC
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
InChI=1SC19H14ClFN2O5c12613639(714(13)272)161517(282216)19(25)23(18(15)24)104512(21)11(20)810h381517H12H3t1517+m1s1
MFCD18245621
ZINC000101261433
ZINC101261433
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