Vitas-M small molecule compound
(4E)-4-{3-ethoxy-4-[2-(naphthalen-1-ylsulfanyl)ethoxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK051896
SMILES CCOc1cc(ccc1OCCSc1cccc2c1cccc2)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C30H26N2O4S MW 510.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O4S/c1-2-35-27-20-21(19-25-29(33)31-32(30(25)34)23-11-4-3-5-12-23)15-16-26(27)36-17-18-37-28-14-8-10-22-9-6-7-13-24(22)28/h3-16,19-20H,2,17-18H2,1H3,(H,31,33)/b25-19+InChIKey
UCYDSAGFZJICLJ-NCELDCMTSA-NSynonyms
(4E)4((3ETHOXY4(2NAPHTHALEN1YLSULFANYLETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3ETHOXY4(2(NAPHTHALEN1YLSULFANYL)ETHOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCSC4=CC=CC5=CC=CC=C54
CCOc1cc(ccc1OCCSc1cccc2c1cccc2)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC30H26N2O4Sc1235272021(192529(33)3132(30(25)34)23114351223)151626(27)361718372814810229671324(22)28h3161920H21718H21H3(H3133)b2519+
MFCD08051130
STK051896
ZINC000013943677
ZINC13943677
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