Vitas-M small molecule compound
4-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245835
SMILES COc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccc(cc1)C#N
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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 C19H16N4O2S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O2S/c1-23-18(15-4-3-5-16(10-15)25-2)21-22-19(23)26-12-17(24)14-8-6-13(11-20)7-9-14/h3-10H,12H2,1-2H3InChIKey
AGWMXUVPMLUXMZ-UHFFFAOYSA-NSynonyms
4(((5(3METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(3methoxyphenyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(3METHOXYPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)OC
InChI=1SC19H16N4O2Sc12318(1543516(1015)252)212219(23)261217(24)148613(1120)7914h310H12H212H3
MFCD08670582
ZINC000009328193
ZINC09328193
ZINC9328193
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