Vitas-M small molecule compound

(4E)-4-[2-(2-ethoxyphenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK085510
SMILES CCOc1ccccc1N/N=C/1\C(=NN(C1=O)c1scc(n1)c1ccc(cc1)OC)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 C27H23N5O3S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S/c1-3-35-23-12-8-7-11-21(23)29-30-25-24(19-9-5-4-6-10-19)31-32(26(25)33)27-28-22(17-36-27)18-13-15-20(34-2)16-14-18/h4-17,29H,3H2,1-2H3/b30-25+
InChIKey
IXADVEKCLHSXAH-QCWLDUFUSA-N
Synonyms

(4E)4((2ETHOXYPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5PHENYLPYRAZOL3ONE
(4E)4(2(2ETHOXYPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
1(4(4METHOXYPHENYL)13THIAZOL2YL)3PHENYL1HPYRAZOLE45DIONE4((2ETHOXYPHENYL)HYDRAZONE)
CCOC1=CC=CC=C1NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C5=CC=CC=C5
CCOc1ccccc1NN=C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)OC)c1ccccc1
InChI=1SC27H23N5O3Sc13352312871121(23)29302524(1995461019)3132(26(25)33)272822(173627)18131520(342)161418h41729H3H212H3b3025+
MFCD01078335
STK085510
ZINC000008397663
ZINC101487990

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Available files

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