Vitas-M small molecule compound
5-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK569388
SMILES COc1cc(ccc1OC)C1=NOC2C1C(=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/c1-10-4-6-13(12(21)8-10)23-19(24)16-17(22-28-18(16)20(23)25)11-5-7-14(26-2)15(9-11)27-3/h4-9,16,18H,1-3H3InChIKey
DKRPKERPYQBJLG-UHFFFAOYSA-NSynonyms
(3aR6aS)5(2bromo4methylphenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(2BROMO4METHYLPHENYL)3(34DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
5(2bromo4methylphenyl)3(34dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC(=C(C=C4)OC)OC)Br
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1Br)C
InChI=1SC20H17BrN2O5c1104613(12(21)810)2319(24)1617(222818(16)20(23)25)115714(262)15(911)273h491618H13H3
MFCD18157948
ZINC000101310441
ZINC000102557286
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