Vitas-M small molecule compound

(2E)-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one

Catalog ID
STL393397
SMILES CCn1nc(c(c1)C(=O)/C=C/c1cnn(c1)C)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 C13H16N4O MW 244.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O/c1-4-17-9-12(10(2)15-17)13(18)6-5-11-7-14-16(3)8-11/h5-9H,4H2,1-3H3/b6-5+
InChIKey
GMDPFOQXCKQBFT-AATRIKPKSA-N
Synonyms
1005628-04-5
(2E)1(1ETHYL3METHYL1HPYRAZOL4YL)3(1METHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)1(1ETHYL3METHYLPYRAZOL4YL)3(1METHYLPYRAZOL4YL)PROP2EN1ONE
1005628045
CCN1C=C(C(=N1)C)C(=O)C=CC2=CN(N=C2)C
CCn1nc(c(c1)C(=O)C=Cc1cnn(c1)C)C
InChI=1SC13H16N4Oc1417912(10(2)1517)13(18)651171416(3)811h59H4H213H3b65+
MFCD04050736
ZINC000006490239
ZINC06490239
ZINC6490239

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.