Vitas-M small molecule compound
5-acetyl-6-methyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine-3-carbonitrile
Catalog ID
STK748049
SMILES N#Cc1cc(C(=O)C)c(nc1SC/C=C/c1ccccc1)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 C18H16N2OS MW 308.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2OS/c1-13-17(14(2)21)11-16(12-19)18(20-13)22-10-6-9-15-7-4-3-5-8-15/h3-9,11H,10H2,1-2H3/b9-6+InChIKey
ZJECMLPOSCPQNI-RMKNXTFCSA-NSynonyms
2((2E)3PHENYLPROP2ENYLTHIO)5ACETYL6METHYLPYRIDINE3CARBONITRILE
5acetyl6methyl2(((2E)3phenylprop2en1yl)sulfanyl)pyridine3carbonitrile
5ACETYL6METHYL2((E)3PHENYLPROP2ENYL)SULFANYLPYRIDINE3CARBONITRILE
CC1=C(C=C(C(=N1)SCC=CC2=CC=CC=C2)C#N)C(=O)C
InChI=1SC18H16N2OSc11317(14(2)21)1116(1219)18(2013)221069157435815h3911H10H212H3b96+
MFCD00742773
N#Cc1cc(C(=O)C)c(nc1SCC=Cc1ccccc1)C
ZINC000002500646
ZINC02500646
ZINC2500646
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