Vitas-M small molecule compound

3-[(2,4-dichlorobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STL061939
SMILES C=CCn1c(COc2ccc(cc2)C)nnc1SCc1ccc(cc1Cl)Cl

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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 C20H19Cl2N3OS MW 420.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3OS/c1-3-10-25-19(12-26-17-8-4-14(2)5-9-17)23-24-20(25)27-13-15-6-7-16(21)11-18(15)22/h3-9,11H,1,10,12-13H2,2H3
InChIKey
NKIPFYCQTLOCMN-UHFFFAOYSA-N
Synonyms
849017-73-8
1((5((24DICHLOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)4METHYLBENZENE
3(((24DICHLOROPHENYL)METHYL)SULFANYL)5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOLE
3((24dichlorobenzyl)sulfanyl)5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazole
3((24DICHLOROPHENYL)METHYLSULFANYL)5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOLE
4allyl3((24dichlorobenzyl)thio)5((ptolyloxy)methyl)4H124triazole
849017738
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H19Cl2N3OSc13102519(1226178414(2)5917)232420(25)2713156716(21)1118(15)22h3911H1101213H22H3
MFCD05680842
ZINC000002452268
ZINC02452268
ZINC2452268

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Available files

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