Vitas-M small molecule compound
3-(benzylsulfanyl)-N-[(E)-(2,4-dichlorophenyl)methylidene]-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK008536
SMILES Clc1ccc(c(c1)Cl)/C=N/n1c(SCc2ccccc2)nnc1c1cccnc1
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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/c22-18-9-8-16(19(23)11-18)13-25-28-20(17-7-4-10-24-12-17)26-27-21(28)29-14-15-5-2-1-3-6-15/h1-13H,14H2/b25-13+InChIKey
BZOMXYIEJCRHKY-DHRITJCHSA-NSynonyms
(E)N(3benzylsulfanyl5pyridin3yl124triazol4yl)1(24dichlorophenyl)methanimine
3(BENZYLSULFANYL)N((E)(24DICHLOROPHENYL)METHYLIDENE)5(PYRIDIN3YL)4H124TRIAZOL4AMINE
C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4
Clc1ccc(c(c1)Cl)C=Nn1c(SCc2ccccc2)nnc1c1cccnc1
InChI=1SC21H15Cl2N5Sc22189816(19(23)1118)13252820(177410241217)262721(28)2914155213615h113H14H2b2513+
MFCD08049301
STK008536
ZINC000008958794
ZINC101383960
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