Vitas-M small molecule compound
(2E)-1-(5-chlorothiophen-2-yl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL403510
SMILES Cn1nc(c(c1)/C=C/C(=O)c1ccc(s1)Cl)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 C12H11ClN2OS MW 266.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClN2OS/c1-8-9(7-15(2)14-8)3-4-10(16)11-5-6-12(13)17-11/h3-7H,1-2H3/b4-3+InChIKey
JBOGVBOQOUTCBR-ONEGZZNKSA-NSynonyms
958990-41-5(2E)1(5chlorothiophen2yl)3(13dimethyl1Hpyrazol4yl)prop2en1one
(E)1(5CHLOROTHIOPHEN2YL)3(13DIMETHYLPYRAZOL4YL)PROP2EN1ONE
958990415
CC1=NN(C=C1C=CC(=O)C2=CC=C(S2)Cl)C
Cn1nc(c(c1)C=CC(=O)c1ccc(s1)Cl)C
InChI=1SC12H11ClN2OSc189(715(2)148)3410(16)115612(13)1711h37H12H3b43+
MFCD05667039
PROPENONE1(5CHLOROTHIOPHEN2YL)3(13DIMETHYL1HPYRAZOL4YL)
ZINC000016991154
ZINC16991154
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