Vitas-M small molecule compound

3-[(3Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-5-methyl-1,3-dihydro-2H-indol-2-one

Catalog ID
STK214456
SMILES O=C(CC1(O)C(=O)Nc2c1cc(C)cc2)/C=C\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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c1-12-2-6-16-15(8-12)20(24,19(23)21-16)10-14(22)5-3-13-4-7-17-18(9-13)26-11-25-17/h2-9,24H,10-11H2,1H3,(H,21,23)/b5-3-
InChIKey
XHAFPHKTWHTOQO-HYXAFXHYSA-N
Synonyms
676614-39-4
3((3Z)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)3HYDROXY5METHYL13DIHYDRO2HINDOL2ONE
3((Z)4(13benzodioxol5yl)2oxobut3enyl)3hydroxy5methyl1Hindol2one
3(4(13BENZODIOXOL5YL)2OXO3BUTENYL)3HYDROXY5METHYL13DIHYDRO2HINDOL2ONE
676614394
CC1=CC2=C(C=C1)NC(=O)C2(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
InChI=1SC20H17NO5c112261615(812)20(2419(23)2116)1014(22)5313471718(913)26112517h2924H1011H21H3(H2123)b53
MFCD02916219
O=C(CC1(O)C(=O)Nc2c1cc(C)cc2)C=Cc1ccc2c(c1)OCO2
ZINC000004544854
ZINC000004544856

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Available files

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