Vitas-M small molecule compound
(2E)-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STK837408
SMILES O=C(c1ccccc1)CSc1nncn1C(=O)/C=C/c1cccs1
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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 C17H13N3O2S2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O2S2/c21-15(13-5-2-1-3-6-13)11-24-17-19-18-12-20(17)16(22)9-8-14-7-4-10-23-14/h1-10,12H,11H2/b9-8+InChIKey
KSPYVQMMSMMQRH-CMDGGOBGSA-NSynonyms
(2E)1(3((2oxo2phenylethyl)sulfanyl)4H124triazol4yl)3(thiophen2yl)prop2en1one
(2E)1(3(2OXO2PHENYLETHYLTHIO)(124TRIAZOL4YL))3(2THIENYL)PROP2EN1ONE
(E)1(3((2oxo2phenylethyl)thio)4H124triazol4yl)3(thiophen2yl)prop2en1one
(E)1(3PHENACYLSULFANYL124TRIAZOL4YL)3THIOPHEN2YLPROP2EN1ONE
C1=CC=C(C=C1)C(=O)CSC2=NN=CN2C(=O)C=CC3=CC=CS3
InChI=1SC17H13N3O2S2c2115(135213613)11241719181220(17)16(22)981474102314h11012H11H2b98+
MFCD02107000
O=C(c1ccccc1)CSc1nncn1C(=O)C=Cc1cccs1
ZINC000004247423
ZINC04247423
ZINC4247423
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