Vitas-M small molecule compound
2-phenylethyl (1-{[4-(2,4-dichlorophenoxy)butanoyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL065007
SMILES O=C(NC(=S)N1CCNC(=O)C1CC(=O)OCCc1ccccc1)CCCOc1ccc(cc1Cl)Cl
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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 C25H27Cl2N3O5S MW 552.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27Cl2N3O5S/c26-18-8-9-21(19(27)15-18)34-13-4-7-22(31)29-25(36)30-12-11-28-24(33)20(30)16-23(32)35-14-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,20H,4,7,10-14,16H2,(H,28,33)(H,29,31,36)InChIKey
FGMGIQPASQAATP-UHFFFAOYSA-NSynonyms
2phenylethyl(1((4(24dichlorophenoxy)butanoyl)carbamothioyl)3oxopiperazin2yl)acetate
2phenylethyl2(1(4(24dichlorophenoxy)butanoylcarbamothioyl)3oxopiperazin2yl)acetate
C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl
InChI=1SC25H27Cl2N3O5Sc26188921(19(27)1518)34134722(31)2925(36)3012112824(33)20(30)1623(32)351410175213617h1356891520H47101416H2(H2833)(H293136)
MFCD05880401
PHENETHYL2(1(4(24DICHLOROPHENOXY)BUTANOYLCARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000097940393
ZINC000097940394
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