Vitas-M small molecule compound

5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-nitrophenyl)-2-oxopropanehydrazonothioate

Catalog ID
STK535366
SMILES Clc1ccc(c(c1)Cl)c1nnc(n1c1ccccc1)S/C(=N/Nc1cccc(c1)[N+](=O)[O-])/C(=O)C

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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 C23H16Cl2N6O3S MW 527.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N6O3S/c1-14(32)22(28-26-16-6-5-9-18(13-16)31(33)34)35-23-29-27-21(19-11-10-15(24)12-20(19)25)30(23)17-7-3-2-4-8-17/h2-13,26H,1H3/b28-22+
InChIKey
DYNACFPZGKAYOB-XAYXJRQQSA-N
Synonyms

(5(24DICHLOROPHENYL)4PHENYL124TRIAZOL3YL)(1E)N(3NITROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5(24dichlorophenyl)4phenyl4H124triazol3ylN(3nitrophenyl)2oxopropanehydrazonothioate
5(24dichlorophenyl)4phenyl4H124triazol3yl(1E)N(3nitrophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)c1nnc(n1c1ccccc1)SC(=NNc1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC23H16Cl2N6O3Sc114(32)22(28261665918(1316)31(33)34)3523292721(19111015(24)1220(19)25)30(23)177324817h21326H1H3b2822+
MFCD02988552
ZINC000100766071
ZINC102416146

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Available files

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