Vitas-M small molecule compound
dimethyl 2-{[benzyl(2-hydroxyethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Catalog ID
STL131430
SMILES OCCN(C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC)Cc1ccccc1
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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-26-18(24)15-8-9-16(19(25)27-2)17(12-15)21-20(28)22(10-11-23)13-14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,28)InChIKey
VQEFJMJRRJRBRQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N(CCO)CC2=CC=CC=C2
dimethyl2((benzyl(2hydroxyethyl)carbamothioyl)amino)benzene14dicarboxylate
InChI=1SC20H22N2O5Sc12618(24)158916(19(25)272)17(1215)2120(28)22(101123)13146435714h391223H101113H212H3(H2128)
MFCD14726231
ZINC000004767816
ZINC4767816
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