Vitas-M small molecule compound
4-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL055923
SMILES C=CCn1c(SCc2ccc(cc2)C#N)nnc1c1cccc(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 C20H18N4S MW 346.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4S/c1-3-11-24-19(18-6-4-5-15(2)12-18)22-23-20(24)25-14-17-9-7-16(13-21)8-10-17/h3-10,12H,1,11,14H2,2H3InChIKey
CRLVZNRGEHPACT-UHFFFAOYSA-NSynonyms
849030-18-84(((4allyl5(mtolyl)4H124triazol3yl)thio)methyl)benzonitrile
4(((5(3methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(3METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
849030188
CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N
InChI=1SC20H18N4Sc13112419(1864515(2)1218)222320(24)2514179716(1321)81017h31012H11114H22H3
MFCD05681799
ZINC000002454086
ZINC02454086
ZINC2454086
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