Vitas-M small molecule compound
4-[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Catalog ID
STK579898
SMILES C=CCn1c(nnc1COc1ccc(cc1)Cl)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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-2-11-25-19(13-26-18-9-7-17(21)8-10-18)23-24-20(25)27-14-16-5-3-15(12-22)4-6-16/h2-10H,1,11,13-14H2InChIKey
BHXFSOZVBKNXEG-UHFFFAOYSA-NSynonyms
896825-32-44(((4allyl5((4chlorophenoxy)methyl)4H124triazol3yl)thio)methyl)benzonitrile
4(((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4(((5(4CHLOROPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
896825324
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=C(C=C3)Cl
InChI=1SC20H17ClN4OSc12112519(1326189717(21)81018)232420(25)2714165315(1222)4616h210H1111314H2
MFCD06598083
ZINC000002213102
ZINC02213102
ZINC2213102
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