Vitas-M small molecule compound
3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK494948
SMILES C=CCn1c(nnc1SCc1c(F)cccc1Cl)Cc1ccc(cc1)OC
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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/c1-3-11-25-19(12-14-7-9-15(26-2)10-8-14)23-24-20(25)27-13-16-17(21)5-4-6-18(16)22/h3-10H,1,11-13H2,2H3InChIKey
CKSZXHVETVOVDO-UHFFFAOYSA-NSynonyms
1((5((2CHLORO6FLUOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHYL)4METHOXYBENZENE
3((2chloro6fluorobenzyl)sulfanyl)5(4methoxybenzyl)4(prop2en1yl)4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)5((4methoxyphenyl)methyl)4prop2enyl124triazole
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F
InChI=1SC20H19ClFN3OSc13112519(12147915(262)10814)232420(25)27131617(21)54618(16)22h310H11113H22H3
MFCD06139122
ZINC000014091780
ZINC14091780
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