Vitas-M small molecule compound
4-({[5-(3-methylphenyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK273946
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C(C)C)c1cccc(c1)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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-14(2)25-20(18-6-4-5-15(3)11-18)23-24-21(25)27-13-19(26)17-9-7-16(12-22)8-10-17/h4-11,14H,13H2,1-3H3InChIKey
DLJFIAXPTQLMOB-UHFFFAOYSA-NSynonyms
4(((5(3METHYLPHENYL)4(PROPAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(3methylphenyl)4propan2yl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4ISOPROPYL5MTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC21H20N4OSc114(2)2520(1864515(3)1118)232421(25)271319(26)179716(1222)81017h41114H13H213H3
MFCD09268259
ZINC000009614995
ZINC09614995
ZINC9614995
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