Vitas-M small molecule compound
(2E)-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-phenylprop-2-en-1-one
Catalog ID
STK806563
SMILES O=C(c1ccccc1)CSc1nncn1C(=O)/C=C/c1ccccc1
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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 C19H15N3O2S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O2S/c23-17(16-9-5-2-6-10-16)13-25-19-21-20-14-22(19)18(24)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2/b12-11+InChIKey
IANKFCDVEBQKBF-VAWYXSNFSA-NSynonyms
(2E)1(3((2oxo2phenylethyl)sulfanyl)4H124triazol4yl)3phenylprop2en1one
(2E)1(3(2OXO2PHENYLETHYLTHIO)(124TRIAZOL4YL))3PHENYLPROP2EN1ONE
(E)1(3PHENACYLSULFANYL124TRIAZOL4YL)3PHENYLPROP2EN1ONE
C1=CC=C(C=C1)C=CC(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3
InChI=1SC19H15N3O2Sc2317(1695261016)13251921201422(19)18(24)1211157314815h11214H13H2b1211+
MFCD01534176
O=C(c1ccccc1)CSc1nncn1C(=O)C=Cc1ccccc1
ZINC000005031593
ZINC05031593
ZINC5031593
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