Vitas-M small molecule compound

3-[(3-bromobenzyl)sulfanyl]-N-[(E)-(4-fluorophenyl)methylidene]-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine

Catalog ID
STK671682
SMILES Fc1ccc(cc1)/C=N/n1cnn2c1nnc2SCc1cccc(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 C17H12BrFN6S MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrFN6S/c18-14-3-1-2-13(8-14)10-26-17-23-22-16-24(11-21-25(16)17)20-9-12-4-6-15(19)7-5-12/h1-9,11H,10H2/b20-9+
InChIKey
ADVWGLXNSGZGHK-AWQFTUOYSA-N
Synonyms

(E)N(3((3bromophenyl)methylsulfanyl)(124)triazolo(43b)(124)triazol7yl)1(4fluorophenyl)methanimine
3((3bromobenzyl)sulfanyl)N((E)(4fluorophenyl)methylidene)7H(124)triazolo(43b)(124)triazol7amine
C1=CC(=CC(=C1)Br)CSC2=NN=C3N2N=CN3N=CC4=CC=C(C=C4)F
Fc1ccc(cc1)C=Nn1cnn2c1nnc2SCc1cccc(c1)Br
InChI=1SC17H12BrFN6Sc181431213(814)10261723221624(112125(16)17)209124615(19)7512h1911H10H2b209+
MFCD00820606
ZINC000001055406
ZINC33295680

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Available files

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