Vitas-M small molecule compound
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL396297
SMILES CCn1ncc(c1C)C(=O)/C=C/Nc1ccc2c(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 C17H19N3O3 MW 313.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3/c1-3-20-12(2)14(11-19-20)15(21)6-7-18-13-4-5-16-17(10-13)23-9-8-22-16/h4-7,10-11,18H,3,8-9H2,1-2H3/b7-6+InChIKey
AFMCMNLGFXCDBO-VOTSOKGWSA-NSynonyms
1005703-91-2(2E)3(23DIHYDRO14BENZODIOXIN6YLAMINO)1(1ETHYL5METHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)3(23DIHYDRO14BENZODIOXIN6YLAMINO)1(1ETHYL5METHYLPYRAZOL4YL)PROP2EN1ONE
1005703912
CCN1C(=C(C=N1)C(=O)C=CNC2=CC3=C(C=C2)OCCO3)C
CCn1ncc(c1C)C(=O)C=CNc1ccc2c(c1)OCCO2
InChI=1SC17H19N3O3c132012(2)14(111920)15(21)671813451617(1013)23982216h47101118H389H212H3b76+
MFCD04051123
ZINC000002792767
ZINC02792767
ZINC2792767
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