Vitas-M small molecule compound

N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide

Catalog ID
STK080658
SMILES Fc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1cc2c(o1)cccc2

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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 C22H14FN5O2S MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14FN5O2S/c23-14-5-8-16(9-6-14)28-26-17-10-7-15(12-18(17)27-28)24-22(31)25-21(29)20-11-13-3-1-2-4-19(13)30-20/h1-12H,(H2,24,25,29,31)
InChIKey
JTUXQNOXRHUKGX-UHFFFAOYSA-N
Synonyms

BENZO(D)FURAN2YLN(((2(4FLUOROPHENYL)(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F
Fc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1cc2c(o1)cccc2
InChI=1SC22H14FN5O2Sc23145816(9614)28261710715(1218(17)2728)2422(31)2521(29)201113312419(13)3020h112H(H224252931)
MFCD03014178
N((2(4FLUOROPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
N((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
N(1BENZOFURAN2YLCARBONYL)N(2(4FLUOROPHENYL)2H123BENZOTRIAZOL5YL)THIOUREA
STK080658
ZINC000000678513
ZINC00678513
ZINC678513

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Available files

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