Vitas-M small molecule compound

3-[(3,4-dichlorobenzyl)sulfanyl]-4,5-di(propan-2-yl)-4H-1,2,4-triazole

Catalog ID
STK335112
SMILES CC(c1nnc(n1C(C)C)SCc1ccc(c(c1)Cl)Cl)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 C15H19Cl2N3S MW 344.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19Cl2N3S/c1-9(2)14-18-19-15(20(14)10(3)4)21-8-11-5-6-12(16)13(17)7-11/h5-7,9-10H,8H2,1-4H3
InChIKey
OOSFBOWVGLUUSB-UHFFFAOYSA-N
Synonyms

3((34dichlorobenzyl)sulfanyl)45di(propan2yl)4H124triazole
3((34dichlorophenyl)methylsulfanyl)45di(propan2yl)124triazole
5((34DICHLOROPHENYL)METHYLTHIO)34BIS(METHYLETHYL)124TRIAZOLE
CC(C)C1=NN=C(N1C(C)C)SCC2=CC(=C(C=C2)Cl)Cl
InChI=1SC15H19Cl2N3Sc19(2)14181915(20(14)10(3)4)218115612(16)13(17)711h57910H8H214H3
MFCD04226486
ZINC000006828920
ZINC06828920
ZINC6828920

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Available files

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