Vitas-M small molecule compound

3-[(2-chlorobenzyl)sulfanyl]-5-{1-[4-(propan-2-yl)phenoxy]ethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK401407
SMILES C=CCn1c(nnc1C(Oc1ccc(cc1)C(C)C)C)SCc1ccccc1Cl

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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 C23H26ClN3OS MW 428.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3OS/c1-5-14-27-22(17(4)28-20-12-10-18(11-13-20)16(2)3)25-26-23(27)29-15-19-8-6-7-9-21(19)24/h5-13,16-17H,1,14-15H2,2-4H3
InChIKey
HZBVHBGKSMFTNF-UHFFFAOYSA-N
Synonyms

3((2chlorobenzyl)sulfanyl)5(1(4(propan2yl)phenoxy)ethyl)4(prop2en1yl)4H124triazole
3((2chlorophenyl)methylsulfanyl)5(1(4propan2ylphenoxy)ethyl)4prop2enyl124triazole
4((5((2CHLOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))ETHOXY)1(METHYLETHYL)BENZENE
CC(C)C1=CC=C(C=C1)OC(C)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl
InChI=1SC23H26ClN3OSc15142722(17(4)2820121018(111320)16(2)3)252623(27)291519867921(19)24h5131617H11415H224H3
MFCD07079379
ZINC000017095675
ZINC000017095676

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Available files

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