Vitas-M small molecule compound

3-(benzylsulfanyl)-N-[(E)-(2,4-dichlorophenyl)methylidene]-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine

Catalog ID
STK074287
SMILES Clc1ccc(c(c1)Cl)/C=N/n1c(SCc2ccccc2)nnc1c1ccncc1

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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 C21H15Cl2N5S MW 440.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N5S/c22-18-7-6-17(19(23)12-18)13-25-28-20(16-8-10-24-11-9-16)26-27-21(28)29-14-15-4-2-1-3-5-15/h1-13H,14H2/b25-13+
InChIKey
KQWVCKIENBHDHT-DHRITJCHSA-N
Synonyms

(E)N(3benzylsulfanyl5pyridin4yl124triazol4yl)1(24dichlorophenyl)methanimine
3(BENZYLSULFANYL)N((E)(24DICHLOROPHENYL)METHYLIDENE)5(PYRIDIN4YL)4H124TRIAZOL4AMINE
C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=C(C=C(C=C3)Cl)Cl)C4=CC=NC=C4
Clc1ccc(c(c1)Cl)C=Nn1c(SCc2ccccc2)nnc1c1ccncc1
InChI=1SC21H15Cl2N5Sc22187617(19(23)1218)13252820(168102411916)262721(28)2914154213515h113H14H2b2513+
MFCD08677729
STK074287
ZINC000009659614
ZINC96500956

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Available files

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