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Vitas-M small molecule compound

2,3-diphenyl-5-[(phenylcarbamothioyl)amino]-1,2,4-thiadiazol-2-ium

Catalog ID
STK796634
SMILES S=C(Nc1nc([n+](s1)c1ccccc1)c1ccccc1)Nc1ccccc1

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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 C21H17N4S2 MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4S2/c26-20(22-17-12-6-2-7-13-17)24-21-23-19(16-10-4-1-5-11-16)25(27-21)18-14-8-3-9-15-18/h1-15H,(H,22,26)/p+1
InChIKey
HFZBTCXFGRBKCG-UHFFFAOYSA-O
Synonyms
1(23DIPHENYL124THIADIAZOL2IUM5YL)3PHENYLTHIOUREA
23diphenyl5((phenylcarbamothioyl)amino)124thiadiazol2ium
23diphenyl5(3phenylthioureido)124thiadiazol2iumchloride
C1=CC=C(C=C1)C2=(N+)(SC(=N2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4
S=C(Nc1nc((n+)(s1)c1ccccc1)c1ccccc1)Nc1ccccc1
S=C(Nc1nc((n+)(s1)c1ccccc1)c1ccccc1)Nc1ccccc1(Cl)
Registry IDs
MFCD01556652
ZINC000334157327
ZINC01462726
ZINC1462726

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Available files

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

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