Vitas-M small molecule compound
(2Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL391485
SMILES CCn1ncc(c1C)/C=C\C(=O)c1ccc2c(c1)OCCO2
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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/c1-3-19-12(2)14(11-18-19)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
ICSYSGYUHTUKFR-XQRVVYSFSA-NSynonyms
1005612-54-3(2Z)1(23dihydro14benzodioxin6yl)3(1ethyl5methyl1Hpyrazol4yl)prop2en1one
(Z)1(23dihydro14benzodioxin6yl)3(1ethyl5methylpyrazol4yl)prop2en1one
1005612543
CCN1C(=C(C=N1)C=CC(=O)C2=CC3=C(C=C2)OCCO3)C
CCn1ncc(c1C)C=CC(=O)c1ccc2c(c1)OCCO2
InChI=1SC17H18N2O3c131912(2)14(111819)4615(20)13571617(1013)22982116h471011H389H212H3b64
MFCD04130523
ZINC000006556019
ZINC06556019
ZINC6556019
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