Vitas-M small molecule compound

(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one

Catalog ID
STL395611
SMILES Cn1ncc(c1)C(=O)/C=C/c1cnn(c1C)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 C12H14N4O MW 230.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O/c1-9-10(6-14-16(9)3)4-5-12(17)11-7-13-15(2)8-11/h4-8H,1-3H3/b5-4+
InChIKey
OBFHDGLLSLDLJD-SNAWJCMRSA-N
Synonyms
1005570-33-1
(2E)3(15DIMETHYL1HPYRAZOL4YL)1(1METHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)3(15dimethylpyrazol4yl)1(1methylpyrazol4yl)prop2en1one
1005570331
CC1=C(C=NN1C)C=CC(=O)C2=CN(N=C2)C
Cn1ncc(c1)C(=O)C=Cc1cnn(c1C)C
InChI=1SC12H14N4Oc1910(61416(9)3)4512(17)1171315(2)811h48H13H3b54+
MFCD04054187
ZINC000006527494
ZINC06527494
ZINC6527494

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Available files

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