Vitas-M small molecule compound

(3aR,6aS)-3-(2,5-dimethoxyphenyl)-5-(2,6-dimethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STK575102
SMILES COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1c(C)cccc1C)OC

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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-11-6-5-7-12(2)18(11)23-20(24)16-17(22-28-19(16)21(23)25)14-10-13(26-3)8-9-15(14)27-4/h5-10,16,19H,1-4H3/t16-,19+/m1/s1
InChIKey
XCKAHEWRQDQYRC-APWZRJJASA-N
Synonyms
1212185-47-1
(3AR6AS)3(25DIMETHOXYPHENYL)5(26DIMETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(25dimethoxyphenyl)5(26dimethylphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(25dimethoxyphenyl)5(26dimethylphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212185471
CC1=C(C(=CC=C1)C)N2C(=O)C3C(C2=O)ON=C3C4=C(C=CC(=C4)OC)OC
COc1ccc(cc1C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1c(C)cccc1C)OC
InChI=1SC21H20N2O5c11165712(2)18(11)2320(24)1617(222819(16)21(23)25)141013(263)8915(14)274h5101619H14H3t1619+m1s1
MFCD18245522
ZINC000101310628
ZINC101310628

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Available files

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