Vitas-M small molecule compound
3-butoxy-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184186
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)OCC
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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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-3-5-15-34-22-8-6-7-18(16-22)25(32)28-26(35)27-19-9-14-23-24(17-19)30-31(29-23)20-10-12-21(13-11-20)33-4-2/h6-14,16-17H,3-5,15H2,1-2H3,(H2,27,28,32,35)InChIKey
ZKSMOXHGDJKHJG-UHFFFAOYSA-NSynonyms
(3BUTOXYPHENYL)N(((2(4ETHOXYPHENYL)(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
3BUTOXYN((2(4ETHOXYPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
3BUTOXYN((2(4ETHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OCC
InChI=1SC26H27N5O3Sc13515342286718(1622)25(32)2826(35)27199142324(1719)3031(2923)20101221(131120)3342h6141617H3515H212H3(H227283235)
MFCD02914588
ZINC000009906461
ZINC09906461
ZINC9906461
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