Vitas-M small molecule compound
3-[(4-chloro-3-methylphenoxy)methyl]-5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK491362
SMILES C=CCn1c(COc2ccc(c(c2)C)Cl)nnc1SCc1ccc(cc1)F
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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 C20H19ClFN3OS MW 403.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClFN3OS/c1-3-10-25-19(12-26-17-8-9-18(21)14(2)11-17)23-24-20(25)27-13-15-4-6-16(22)7-5-15/h3-9,11H,1,10,12-13H2,2H3InChIKey
QPQKEYCKGZBLOV-UHFFFAOYSA-NSynonyms
1CHLORO4((5((4FLUOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)2METHYLBENZENE
3((4chloro3methylphenoxy)methyl)5((4fluorobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3((4chloro3methylphenoxy)methyl)5((4fluorophenyl)methylsulfanyl)4prop2enyl124triazole
CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F)Cl
InChI=1SC20H19ClFN3OSc13102519(1226178918(21)14(2)1117)232420(25)2713154616(22)7515h3911H1101213H22H3
MFCD07079368
ZINC000013848432
ZINC13848432
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