Vitas-M small molecule compound
dimethyl 2-{[benzyl(2-phenylethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Catalog ID
STL131421
SMILES COC(=O)c1ccc(cc1NC(=S)N(Cc1ccccc1)CCc1ccccc1)C(=O)OC
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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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-31-24(29)21-13-14-22(25(30)32-2)23(17-21)27-26(33)28(18-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,27,33)InChIKey
ONAVGQXTMOSQST-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3
dimethyl2((benzyl(2phenylethyl)carbamothioyl)amino)benzene14dicarboxylate
InChI=1SC26H26N2O4Sc13124(29)21131422(25(30)322)23(1721)2726(33)28(1820117481220)16151995361019h31417H151618H212H3(H2733)
MFCD14726192
ZINC000004767786
ZINC4767786
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