Vitas-M small molecule compound

3-[(3-bromobenzyl)sulfanyl]-4,5-bis(4-chlorophenyl)-4H-1,2,4-triazole

Catalog ID
STL299032
SMILES Clc1ccc(cc1)n1c(nnc1c1ccc(cc1)Cl)SCc1cccc(c1)Br

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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 C21H14BrCl2N3S MW 491.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrCl2N3S/c22-16-3-1-2-14(12-16)13-28-21-26-25-20(15-4-6-17(23)7-5-15)27(21)19-10-8-18(24)9-11-19/h1-12H,13H2
InChIKey
NAPVXTIUASLVEJ-UHFFFAOYSA-N
Synonyms
862127-69-3
3(((3BROMOPHENYL)METHYL)SULFANYL)45BIS(4CHLOROPHENYL)4H124TRIAZOLE
3((3bromobenzyl)sulfanyl)45bis(4chlorophenyl)4H124triazole
3((3bromobenzyl)thio)45bis(4chlorophenyl)4H124triazole
3((3BROMOPHENYL)METHYLSULFANYL)45BIS(4CHLOROPHENYL)124TRIAZOLE
45BIS(4CHLOROPHENYL)3((3BROMOPHENYL)METHYLTHIO)124TRIAZOLE
862127693
C1=CC(=CC(=C1)Br)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI=1SC21H14BrCl2N3Sc221631214(1216)132821262520(154617(23)7515)27(21)1910818(24)91119h112H13H2
MFCD05600662
ZINC000009309470
ZINC09309470
ZINC9309470

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Available files

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