Vitas-M small molecule compound
2-fluoro-N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184540
SMILES COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1F
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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 C21H16FN5O2S MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN5O2S/c1-29-15-9-7-14(8-10-15)27-25-18-11-6-13(12-19(18)26-27)23-21(30)24-20(28)16-4-2-3-5-17(16)22/h2-12H,1H3,(H2,23,24,28,30)InChIKey
RKPFJFXZSUUAOM-UHFFFAOYSA-NSynonyms
2FLUORON((2(4METHOXYPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2FLUORON((2(4METHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4F
InChI=1SC21H16FN5O2Sc129159714(81015)27251811613(1219(18)2627)2321(30)2420(28)16423517(16)22h212H1H3(H223242830)
MFCD03306986
ZINC000009906607
ZINC09906607
ZINC9906607
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