Vitas-M small molecule compound
4-({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL056889
SMILES C=CCn1c(nnc1COc1ccccc1)SCc1ccc(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 C20H18N4OS MW 362.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4OS/c1-2-12-24-19(14-25-18-6-4-3-5-7-18)22-23-20(24)26-15-17-10-8-16(13-21)9-11-17/h2-11H,1,12,14-15H2InChIKey
BKAUCIPDNSLOLO-UHFFFAOYSA-NSynonyms
861649-33-44(((4allyl5(phenoxymethyl)4H124triazol3yl)thio)methyl)benzonitrile
4(((5(phenoxymethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
861649334
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=CC=C3
InChI=1SC20H18N4OSc12122419(1425186435718)222320(24)26151710816(1321)91117h211H1121415H2
MFCD05686281
ZINC000004295826
ZINC04295826
ZINC4295826
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