Vitas-M small molecule compound

(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-1,2-oxazol-5(4H)-one

Catalog ID
STL495758
SMILES O=C1ON=C(/C/1=C/c1ccc2c(c1)OCO2)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 C12H9NO4 MW 231.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9NO4/c1-7-9(12(14)17-13-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4-
InChIKey
YQZOINRTUOVWGH-WTKPLQERSA-N
Synonyms

(4Z)3METHYL4PIPERONYLIDENE2ISOXAZOLIN5ONE
(4Z)4(13benzodioxol5ylmethylidene)3methyl12oxazol5(4H)one
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)3METHYL12OXAZOL5ONE
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)3METHYL5ISOXAZOLONE
4((Z)(13BENZODIOXOLE5YL)METHYLENE)3METHYL2ISOXAZOLINE5ONE
4(13BENZODIOXOL5YLMETHYLIDENE)3METHYL12OXAZOL5(4H)ONE
4BENZO(13)DIOXOL5YLMETHYLENE3METHYL4HISOXAZOL5ONE
CC1=NOC(=O)C1=CC2=CC3=C(C=C2)OCO3
InChI=1SC12H9NO4c179(12(14)17137)48231011(58)1661510h25H6H21H3b94
MFCD05025273
O=C1ON=C(C1=Cc1ccc2c(c1)OCO2)C
ZINC000017176178
ZINC17176178

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Available files

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