Vitas-M small molecule compound
4-[({5-[(2,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]benzonitrile
Catalog ID
STK245802
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)COc1ccc(cc1C)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-14-4-9-19(15(2)10-14)27-12-20-23-24-21(25(20)3)28-13-18(26)17-7-5-16(11-22)6-8-17/h4-10H,12-13H2,1-3H3InChIKey
WAIOJLLXDARENS-UHFFFAOYSA-NSynonyms
4(((5((24DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5((24dimethylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(24DIMETHYLPHENOXYMETHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N)C
InChI=1SC21H20N4O2Sc1144919(15(2)1014)271220232421(25(20)3)281318(26)177516(1122)6817h410H1213H213H3
MFCD08670545
ZINC000009328128
ZINC09328128
ZINC9328128
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