Vitas-M small molecule compound
(3aR,6aS)-5-(2-bromo-4-methylphenyl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL007232
SMILES COc1cccc(c1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Br)C
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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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-10-7-8-13(12(21)9-10)23-19(24)15-16(22-28-18(15)20(23)25)11-5-4-6-14(26-2)17(11)27-3/h4-9,15,18H,1-3H3/t15-,18+/m1/s1InChIKey
YMCURMSSWDITDA-QAPCUYQASA-NSynonyms
1212349-08-0(3aR6aS)5(2bromo4methylphenyl)3(23dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(2bromo4methylphenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(2bromo4methylphenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212349080
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=C(C(=CC=C4)OC)OC)Br
COc1cccc(c1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1Br)C
InChI=1SC20H17BrN2O5c1107813(12(21)910)2319(24)1516(222818(15)20(23)25)1154614(262)17(11)273h491518H13H3t1518+m1s1
MFCD18247160
ZINC000017861450
ZINC17861450
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