Vitas-M small molecule compound
(2E)-1-(thiophen-2-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STK956431
SMILES O=C(c1cccs1)/C=C/c1c(C)nn(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 C13H14N2OS MW 246.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2OS/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h4-8H,1-3H3/b7-6+InChIKey
UYGNKXAEZPPIDY-VOTSOKGWSA-NSynonyms
512814-69-6(2E)1(thiophen2yl)3(135trimethyl1Hpyrazol4yl)prop2en1one
(E)1THIOPHEN2YL3(135TRIMETHYLPYRAZOL4YL)PROP2EN1ONE
1(2THIENYL)3(135TRIMETHYL1HPYRAZOL4YL)2PROPEN1ONE
512814696
CC1=C(C(=NN1C)C)C=CC(=O)C2=CC=CS2
InChI=1SC13H14N2OSc1911(10(2)15(3)149)6712(16)135481713h48H13H3b76+
MFCD03466952
O=C(c1cccs1)C=Cc1c(C)nn(c1C)C
ZINC000004651991
ZINC04651991
ZINC4651991
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