Vitas-M small molecule compound

6-(2-bromophenyl)-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STL299508
SMILES Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccccc1Br

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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 C16H10BrClN4S MW 405.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10BrClN4S/c17-13-4-2-1-3-12(13)14-9-23-16-20-19-15(22(16)21-14)10-5-7-11(18)8-6-10/h1-8H,9H2
InChIKey
KRBOZHAEXVDYTB-UHFFFAOYSA-N
Synonyms
850800-06-5
6(2bromophenyl)3(4chlorophenyl)7H(124)triazolo(34b)(134)thiadiazine
6(2BROMOPHENYL)3(4CHLOROPHENYL)7H124TRIAZOLO(34B)134THIADIAZINE
850800065
C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Br
InChI=1SC16H10BrClN4Sc1713421312(13)1492316201915(22(16)2114)105711(18)8610h18H9H2
MFCD05695357
ZINC000005531881
ZINC05531881
ZINC5531881

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Available files

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