Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(4-ethylpiperazin-1-yl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK438563
SMILES CCOC(=O)c1cc(sc1NC(=S)N1CCN(CC1)CC)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 C21H27N3O2S2 MW 417.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S2/c1-3-23-10-12-24(13-11-23)21(27)22-19-18(20(25)26-4-2)15-17(28-19)14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3,(H,22,27)InChIKey
MZQGXMUOSYYZOL-UHFFFAOYSA-NSynonyms
CCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC
ETHYL2(((4ETHYLPIPERAZINYL)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((4ethylpiperazin1yl)carbonothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((4ETHYLPIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H27N3O2S2c1323101224(131123)21(27)221918(20(25)2642)1517(2819)14168657916h5915H341014H212H3(H2227)
MFCD03945439
ZINC000005979412
ZINC5979412
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