Vitas-M small molecule compound
ethyl 4-oxo-4-[({3-oxo-2-[2-oxo-2-(2-phenylethoxy)ethyl]piperazin-1-yl}carbonothioyl)amino]butanoate
Catalog ID
STL065010
SMILES CCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCc1ccccc1
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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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-2-29-18(26)9-8-17(25)23-21(31)24-12-11-22-20(28)16(24)14-19(27)30-13-10-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,22,28)(H,23,25,31)InChIKey
NBDXVFMLIVOZIR-UHFFFAOYSA-NSynonyms
CCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2
ethyl4oxo4(((3oxo2(2oxo2(2phenylethoxy)ethyl)piperazin1yl)carbonothioyl)amino)butanoate
ethyl4oxo4((3oxo2(2oxo2(2phenylethoxy)ethyl)piperazine1carbothioyl)amino)butanoate
ETHYL4OXO4((3OXO2(2OXO2PHENETHYLOXYETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)BUTANOATE
InChI=1SC21H27N3O6Sc122918(26)9817(25)2321(31)2412112220(28)16(24)1419(27)301310156435715h3716H2814H21H3(H2228)(H232531)
MFCD05880431
ZINC000012137579
ZINC000012137580
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