Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK462385
SMILES CCOC(=O)c1cc(sc1NC(=S)NN1CCN(CC1)C)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 C20H26N4O2S2 MW 418.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S2/c1-3-26-19(25)17-14-16(13-15-7-5-4-6-8-15)28-18(17)21-20(27)22-24-11-9-23(2)10-12-24/h4-8,14H,3,9-13H2,1-2H3,(H2,21,22,27)InChIKey
HLFKHSNLLAPKBK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3CCN(CC3)C
ETHYL2((((4METHYLPIPERAZINYL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((4methylpiperazin1yl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((4METHYLPIPERAZIN1YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC20H26N4O2S2c132619(25)171416(13157546815)2818(17)2120(27)222411923(2)101224h4814H3913H212H3(H2212227)
MFCD05063664
ZINC000005042046
ZINC5042046
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