Vitas-M small molecule compound
(2Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STK307205
SMILES CCn1nc(c(c1)/C=C\C(=O)c1ccc2c(c1)OCCO2)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 C17H18N2O3 MW 298.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3/c1-3-19-11-14(12(2)18-19)4-6-15(20)13-5-7-16-17(10-13)22-9-8-21-16/h4-7,10-11H,3,8-9H2,1-2H3/b6-4-InChIKey
LMBXEFXHDQEMER-XQRVVYSFSA-NSynonyms
1005683-20-4(2Z)1(23dihydro14benzodioxin6yl)3(1ethyl3methyl1Hpyrazol4yl)prop2en1one
(Z)1(23dihydro14benzodioxin6yl)3(1ethyl3methylpyrazol4yl)prop2en1one
1005683204
CCN1C=C(C(=N1)C)C=CC(=O)C2=CC3=C(C=C2)OCCO3
CCn1nc(c(c1)C=CC(=O)c1ccc2c(c1)OCCO2)C
InChI=1SC17H18N2O3c13191114(12(2)1819)4615(20)13571617(1013)22982116h471011H389H212H3b64
MFCD04053491
ZINC000006490221
ZINC06490221
ZINC6490221
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