Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK568648
SMILES COc1cc(ccc1OC)C1=NOC2C1C(=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/c1-25-12-5-3-10(7-14(12)26-2)17-16-18(29-21-17)20(24)22(19(16)23)11-4-6-13-15(8-11)28-9-27-13/h3-8,16,18H,9H2,1-2H3InChIKey
KBYHOWUYOATSFP-UHFFFAOYSA-NSynonyms
(3aR6aS)5(benzo(d)(13)dioxol5yl)3(34dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(13BENZODIOXOL5YL)3(34DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
5(13benzodioxol5yl)3(34dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
COC1=C(C=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)OC
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC20H16N2O7c125125310(714(12)262)171618(292117)20(24)22(19(16)23)11461315(811)2892713h381618H9H212H3
MFCD18157931
ZINC000101290342
ZINC000102553404
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