Vitas-M small molecule compound
4-({[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK497759
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)c1ccc2c(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 C19H14N4O3S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O3S/c1-23-18(14-6-7-16-17(8-14)26-11-25-16)21-22-19(23)27-10-15(24)13-4-2-12(9-20)3-5-13/h2-8H,10-11H2,1H3InChIKey
KOANITMBIIOHIA-UHFFFAOYSA-NSynonyms
4(((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2((5(13benzodioxol5yl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4
InChI=1SC19H14N4O3Sc12318(14671617(814)26112516)212219(23)271015(24)134212(920)3513h28H1011H21H3
MFCD11855094
ZINC000008882612
ZINC08882612
ZINC8882612
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