Vitas-M small molecule compound

3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STL299158
SMILES C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)C(C)(C)C

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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 C22H23Cl2N3S MW 432.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N3S/c1-5-13-27-20(15-9-11-16(12-10-15)22(2,3)4)25-26-21(27)28-14-17-18(23)7-6-8-19(17)24/h5-12H,1,13-14H2,2-4H3
InChIKey
ZMWSLDLFNXPIOB-UHFFFAOYSA-N
Synonyms
736147-83-4
3((26DICHLOROPHENYL)METHYLTHIO)5(4(TERTBUTYL)PHENYL)4PROP2ENYL124TRIAZOLE
3(4TERTBUTYLPHENYL)5(((26DICHLOROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
3(4tertbutylphenyl)5((26dichlorobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(4TERTBUTYLPHENYL)5((26DICHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4allyl3(4(tertbutyl)phenyl)5((26dichlorobenzyl)thio)4H124triazole
736147834
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)Cl
InChI=1SC22H23Cl2N3Sc15132720(1591116(121015)22(23)4)252621(27)28141718(23)76819(17)24h512H11314H224H3
MFCD04606812
ZINC000003323465
ZINC03323465
ZINC3323465

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.