Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STL348826
SMILES COc1ccc(c(c1)OC)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/c1-25-11-4-5-12(14(8-11)26-2)17-16-18(29-21-17)20(24)22(19(16)23)10-3-6-13-15(7-10)28-9-27-13/h3-8,16,18H,9H2,1-2H3
InChIKey
BSHIOZJBQRUARQ-UHFFFAOYSA-N
Synonyms

(3aR6aS)5(benzo(d)(13)dioxol5yl)3(24dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(13BENZODIOXOL5YL)3(24DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
5(13benzodioxol5yl)3(24dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
5(13BENZODIOXOL5YL)3(24DIMETHOXYPHENYL)3AHPYRROLO(34D)ISOXAZOLE46(5H6AH)DIONE
COC1=CC(=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)OC
COc1ccc(c(c1)OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC20H16N2O7c125114512(14(811)262)171618(292117)20(24)22(19(16)23)10361315(710)2892713h381618H9H212H3
MFCD28032605
ZINC000101226659
ZINC000101358962

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Available files

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