Vitas-M small molecule compound
4-({[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK497760
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1ccc2c(c1)OCO2
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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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-2-9-25-20(16-7-8-18-19(10-16)28-13-27-18)23-24-21(25)29-12-17(26)15-5-3-14(11-22)4-6-15/h2-8,10H,1,9,12-13H2InChIKey
QGAMAORZKPYZKI-UHFFFAOYSA-NSynonyms
4(((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2((5(13benzodioxol5yl)4prop2enyl124triazol3yl)sulfanyl)acetyl)benzonitrile
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4
InChI=1SC21H16N4O3Sc1292520(16781819(1016)28132718)232421(25)291217(26)155314(1122)4615h2810H191213H2
MFCD11855095
ZINC000008882738
ZINC08882738
ZINC8882738
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