Vitas-M small molecule compound

4-[(3aR,6aS)-3-(2,3-dimethoxyphenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl acetate

Catalog ID
STK582708
SMILES COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-11(24)29-13-9-7-12(8-10-13)23-20(25)16-17(22-30-19(16)21(23)26)14-5-4-6-15(27-2)18(14)28-3/h4-10,16,19H,1-3H3/t16-,19+/m1/s1
InChIKey
IJTWMOTWKUNDMG-APWZRJJASA-N
Synonyms
1212176-36-7
(4((3AR6AS)3(23DIMETHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)PHENYL)ACETATE
1212176367
4((3aR6aS)3(23dimethoxyphenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenylacetate
4((3aR6aS)3(23dimethoxyphenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=C(C(=CC=C4)OC)OC
COc1c(OC)cccc1C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
InChI=1SC21H18N2O7c111(24)29139712(81013)2320(25)1617(223019(16)21(23)26)1454615(272)18(14)283h4101619H13H3t1619+m1s1
MFCD18245700
ZINC000101277600
ZINC101277600

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Available files

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