Vitas-M small molecule compound
2-chloro-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-methylbenzamide
Catalog ID
STK346269
SMILES S=C(NC(=O)c1ccc(cc1Cl)C)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)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 C21H15ClFN5OS MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClFN5OS/c1-12-2-8-16(17(22)10-12)20(29)25-21(30)24-14-5-9-18-19(11-14)27-28(26-18)15-6-3-13(23)4-7-15/h2-11H,1H3,(H2,24,25,29,30)InChIKey
XBWAQQXNCKXREM-UHFFFAOYSA-NSynonyms
2chloroN((2(4fluorophenyl)2Hbenzotriazol5yl)carbamothioyl)4methylbenzamide
2CHLORON((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)4METHYLBENZAMIDE
CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)Cl
InChI=1SC21H15ClFN5OSc1122816(17(22)1012)20(29)2521(30)2414591819(1114)2728(2618)156313(23)4715h211H1H3(H224252930)
MFCD05849253
ZINC000002887170
ZINC02887170
ZINC2887170
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