Vitas-M small molecule compound
(2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Catalog ID
STL401776
SMILES Cn1nc(c(c1)/C=C/C(=O)c1ccc[nH]1)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 C12H13N3O MW 215.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O/c1-9-10(8-15(2)14-9)5-6-12(16)11-4-3-7-13-11/h3-8,13H,1-2H3/b6-5+InChIKey
HUYMZCRWNLPVKG-AATRIKPKSA-NSynonyms
1006326-69-7(2E)3(13dimethyl1Hpyrazol4yl)1(1Hpyrrol2yl)prop2en1one
(E)3(13dimethylpyrazol4yl)1(1Hpyrrol2yl)prop2en1one
1006326697
CC1=NN(C=C1C=CC(=O)C2=CC=CN2)C
Cn1nc(c(c1)C=CC(=O)c1ccc(nH)1)C
InChI=1SC12H13N3Oc1910(815(2)149)5612(16)114371311h3813H12H3b65+
MFCD08557820
ZINC000020606668
ZINC20606668
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