Vitas-M small molecule compound

4-fluoro-N-{[2-(naphthalen-1-yl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide

Catalog ID
STK012900
SMILES S=C(NC(=O)c1ccc(cc1)F)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2

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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 C24H16FN5OS MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16FN5OS/c25-17-10-8-16(9-11-17)23(31)27-24(32)26-18-12-13-20-21(14-18)29-30(28-20)22-7-3-5-15-4-1-2-6-19(15)22/h1-14H,(H2,26,27,31,32)
InChIKey
XEIYMLCMHHUXEW-UHFFFAOYSA-N
Synonyms
428448-40-2
428448402
4fluoroN((2(naphthalen1yl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
4FLUORON((2(NAPHTHALEN1YL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4FLUORON((2NAPHTHALEN1YLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC=C(C=C5)F
InChI=1SC24H16FN5OSc251710816(91117)23(31)2724(32)261812132021(1418)2930(2820)2273515412619(15)22h114H(H226273132)
MFCD02628024
S=C(NC(=O)c1ccc(cc1)F)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2
STK012900
ZINC000001096053
ZINC01096053
ZINC1096053

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Available files

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