Vitas-M small molecule compound

5-(4-chlorophenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK109838
SMILES CCn1c2ccc(cc2c2c1cccc2)/C=N/n1c(S)nnc1c1ccc(cc1)Cl

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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 C23H18ClN5S MW 431.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5S/c1-2-28-20-6-4-3-5-18(20)19-13-15(7-12-21(19)28)14-25-29-22(26-27-23(29)30)16-8-10-17(24)11-9-16/h3-14H,2H2,1H3,(H,27,30)/b25-14+
InChIKey
GQIBEJLQKPNSNF-AFUMVMLFSA-N
Synonyms
380458-36-6
(E)5(4chlorophenyl)4(((9ethyl9Hcarbazol3yl)methylene)amino)4H124triazole3thiol
3(4CHLOROPHENYL)4((E)(9ETHYLCARBAZOL3YL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
380458366
4((1E)2(9ETHYLCARBAZOL3YL)1AZAVINYL)5(4CHLOROPHENYL)124TRIAZOLE3THIOL
5(4CHLOROPHENYL)4(((E)(9ETHYL9HCARBAZOL3YL)METHYLIDENE)AMINO)24DIHYDRO3H124TRIAZOLE3THIONE
5(4CHLOROPHENYL)4(((E)(9ETHYL9HCARBAZOL3YL)METHYLIDENE)AMINO)4H124TRIAZOLE3THIOL
CCN1C2=C(C=C(C=C2)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl)C5=CC=CC=C51
CCn1c2ccc(cc2c2c1cccc2)C=Nn1c(S)nnc1c1ccc(cc1)Cl
InChI=1SC23H18ClN5Sc122820643518(20)191315(71221(19)28)14252922(262723(29)30)1681017(24)11916h314H2H21H3(H2730)b2514+
MFCD03153632
ZINC1833907

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.