Vitas-M small molecule compound

3-[(4-bromobenzyl)sulfanyl]-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL340657
SMILES COc1cc(ccc1OC)c1nnc(n1N)SCc1ccc(cc1)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 C17H17BrN4O2S MW 421.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN4O2S/c1-23-14-8-5-12(9-15(14)24-2)16-20-21-17(22(16)19)25-10-11-3-6-13(18)7-4-11/h3-9H,10,19H2,1-2H3
InChIKey
LKYSIUCOOVZXGS-UHFFFAOYSA-N
Synonyms
573950-60-4
3((4bromobenzyl)sulfanyl)5(34dimethoxyphenyl)4H124triazol4amine
3((4bromobenzyl)thio)5(34dimethoxyphenyl)4H124triazol4amine
3((4BROMOPHENYL)METHYLSULFANYL)5(34DIMETHOXYPHENYL)124TRIAZOL4AMINE
5(34DIMETHOXYPHENYL)3((4BROMOPHENYL)METHYLTHIO)124TRIAZOLE4YLAMINE
573950604
COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br)OC
InChI=1SC17H17BrN4O2Sc123148512(915(14)242)16202117(22(16)19)2510113613(18)7411h39H1019H212H3
MFCD04021389
ZINC000002322968
ZINC02322968
ZINC2322968

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Available files

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