Vitas-M small molecule compound
4-[(3aR,6aS)-3-(2,5-dimethoxyphenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl acetate
Catalog ID
STK577149
SMILES COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C)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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-11(24)29-13-6-4-12(5-7-13)23-20(25)17-18(22-30-19(17)21(23)26)15-10-14(27-2)8-9-16(15)28-3/h4-10,17,19H,1-3H3/t17-,19+/m1/s1InChIKey
YYWKRYKRJSOZDU-MJGOQNOKSA-NSynonyms
1212286-98-0(4((3AR6AS)3(25DIMETHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)PHENYL)ACETATE
1212286980
4((3aR6aS)3(25dimethoxyphenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenylacetate
4((3aR6aS)3(25dimethoxyphenyl)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
COc1ccc(c(c1)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C)OC
InChI=1SC21H18N2O7c111(24)29136412(5713)2320(25)1718(223019(17)21(23)26)151014(272)8916(15)283h4101719H13H3t1719+m1s1
MFCD18245572
ZINC000101268620
ZINC101268620
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