Vitas-M small molecule compound
(3aR,6aS)-5-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK592992
SMILES COc1cccc(c1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2
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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 C20H16N2O7 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7/c1-25-13-5-3-4-11(17(13)26-2)16-15-18(29-21-16)20(24)22(19(15)23)10-6-7-12-14(8-10)28-9-27-12/h3-8,15,18H,9H2,1-2H3/t15-,18+/m1/s1InChIKey
QNUNZCHTDKJOPQ-QAPCUYQASA-NSynonyms
1212153-70-2(3aR6aS)5(13benzodioxol5yl)3(23dimethoxyphenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(13benzodioxol5yl)3(23dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(benzo(d)(13)dioxol5yl)3(23dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212153702
COC1=CC=CC(=C1OC)C2=NOC3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
COc1cccc(c1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC20H16N2O7c1251353411(17(13)262)161518(292116)20(24)22(19(15)23)10671214(810)2892712h381518H9H212H3t1518+m1s1
MFCD18245953
ZINC000101290073
ZINC101290073
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