Vitas-M small molecule compound
4-({[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK279382
SMILES N#Cc1ccc(cc1)CSc1nnc(n1C)c1ccc2c(c1)CCCC2
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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 C21H20N4S MW 360.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4S/c1-25-20(19-11-10-17-4-2-3-5-18(17)12-19)23-24-21(25)26-14-16-8-6-15(13-22)7-9-16/h6-12H,2-5,14H2,1H3InChIKey
FIMFFBXHLPYFIQ-UHFFFAOYSA-NSynonyms
4(((4methyl5(5678tetrahydronaphthalen2yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((4methyl5(5678tetrahydronaphthalen2yl)124triazol3yl)sulfanylmethyl)benzonitrile
CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(CCCC4)C=C3
InChI=1SC21H20N4Sc12520(19111017423518(17)1219)232421(25)2614168615(1322)7916h612H2514H21H3
MFCD09269820
ZINC000009193285
ZINC09193285
ZINC9193285
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