Vitas-M small molecule compound
2-chloro-N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-fluorobenzamide
Catalog ID
STK236943
SMILES CCc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccc(cc1Cl)F
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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 C22H17ClFN5OS MW 453.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN5OS/c1-2-13-3-7-16(8-4-13)29-27-19-10-6-15(12-20(19)28-29)25-22(31)26-21(30)17-9-5-14(24)11-18(17)23/h3-12H,2H2,1H3,(H2,25,26,30,31)InChIKey
CZHBKTGZDBKNFW-UHFFFAOYSA-NSynonyms
2chloroN((2(4ethylphenyl)2Hbenzotriazol5yl)carbamothioyl)4fluorobenzamide
2CHLORON((2(4ETHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)4FLUOROBENZAMIDE
CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl
InChI=1SC22H17ClFN5OSc12133716(8413)29271910615(1220(19)2829)2522(31)2621(30)179514(24)1118(17)23h312H2H21H3(H225263031)
MFCD03906827
ZINC000009190410
ZINC09190410
ZINC9190410
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