Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(pyridin-4-ylmethyl)carbamothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK436611
SMILES CCOC(=O)c1cc(sc1NC(=S)NCc1ccncc1)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 C21H21N3O2S2 MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S2/c1-2-26-20(25)18-13-17(12-15-6-4-3-5-7-15)28-19(18)24-21(27)23-14-16-8-10-22-11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,23,24,27)InChIKey
XDDKYENNFHYASG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=NC=C3
ETHYL5BENZYL2((((4PYRIDYLMETHYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl5benzyl2(((pyridin4ylmethyl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2(PYRIDIN4YLMETHYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H21N3O2S2c122620(25)181317(12156435715)2819(18)2421(27)2314168102211916h31113H21214H21H3(H2232427)
MFCD03944765
ZINC000005948086
ZINC05948086
ZINC5948086
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