Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-one
Catalog ID
STK806729
SMILES C#CCSc1nncn1C(=O)/C=C/c1ccc(c(c1)OC)OC
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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 C16H15N3O3S MW 329.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O3S/c1-4-9-23-16-18-17-11-19(16)15(20)8-6-12-5-7-13(21-2)14(10-12)22-3/h1,5-8,10-11H,9H2,2-3H3/b8-6+InChIKey
IIWDRAPIQCUMMQ-SOFGYWHQSA-NSynonyms
329268-25-9(2E)3(34dimethoxyphenyl)1(3(prop2yn1ylsulfanyl)4H124triazol4yl)prop2en1one
(2E)3(34DIMETHOXYPHENYL)1(3PROP2YNYLTHIO(124TRIAZOL4YL))PROP2EN1ONE
(E)3(34dimethoxyphenyl)1(3(prop2yn1ylthio)4H124triazol4yl)prop2en1one
(E)3(34DIMETHOXYPHENYL)1(3PROP2YNYLSULFANYL124TRIAZOL4YL)PROP2EN1ONE
329268259
C#CCSc1nncn1C(=O)C=Cc1ccc(c(c1)OC)OC
COC1=C(C=C(C=C1)C=CC(=O)N2C=NN=C2SCC#C)OC
InChI=1SC16H15N3O3Sc149231618171119(16)15(20)86125713(212)14(1012)223h1581011H9H223H3b86+
MFCD02211851
ZINC000004888753
ZINC04888753
ZINC4888753
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