Vitas-M small molecule compound
4-tert-butyl-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK016260
SMILES S=C(NC(=O)c1ccc(cc1)C(C)(C)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 C24H22FN5OS MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN5OS/c1-24(2,3)16-6-4-15(5-7-16)22(31)27-23(32)26-18-10-13-20-21(14-18)29-30(28-20)19-11-8-17(25)9-12-19/h4-14H,1-3H3,(H2,26,27,31,32)InChIKey
FASDJRUPNBBUPC-UHFFFAOYSA-NSynonyms
4TERTBUTYLN((2(4FLUOROPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4TERTBUTYLN((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F
InChI=1SC24H22FN5OSc124(23)166415(5716)22(31)2723(32)261810132021(1418)2930(2820)1911817(25)91219h414H13H3(H226273132)
MFCD03228341
S=C(NC(=O)c1ccc(cc1)C(C)(C)C)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
STK016260
ZINC000008984536
ZINC08984536
ZINC8984536
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