Vitas-M small molecule compound
3-[(2-chloro-4-fluorobenzyl)sulfanyl]-5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK491176
SMILES C=CCn1c(COc2ccc(c(c2)C)Cl)nnc1SCc1ccc(cc1Cl)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 C20H18Cl2FN3OS MW 438.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2FN3OS/c1-3-8-26-19(11-27-16-6-7-17(21)13(2)9-16)24-25-20(26)28-12-14-4-5-15(23)10-18(14)22/h3-7,9-10H,1,8,11-12H2,2H3InChIKey
NSRDELAILZUCKR-UHFFFAOYSA-NSynonyms
1CHLORO4((5((2CHLORO4FLUOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)2METHYLBENZENE
3((2chloro4fluorobenzyl)sulfanyl)5((4chloro3methylphenoxy)methyl)4(prop2en1yl)4H124triazole
3((2chloro4fluorophenyl)methylsulfanyl)5((4chloro3methylphenoxy)methyl)4prop2enyl124triazole
CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)F)Cl)Cl
InChI=1SC20H18Cl2FN3OSc1382619(1127166717(21)13(2)916)242520(26)2812144515(23)1018(14)22h37910H181112H22H3
MFCD07079529
ZINC000013848430
ZINC13848430
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