Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799333
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCOCC)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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-3-5-18-34-24-14-12-21(13-15-24)26-22(20-31(29-26)23-10-7-6-8-11-23)19-25-27(32)30(28(35)36-25)16-9-17-33-4-2/h6-8,10-15,19-20H,3-5,9,16-18H2,1-2H3/b25-19-InChIKey
SLRBKOUERXZCBI-PLRJNAJWSA-NSynonyms
(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3ETHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCOCC)c1ccccc1
InChI=1SC28H31N3O3S2c135183424141221(131524)2622(2031(2926)23107681123)192527(32)30(28(35)3625)169173342h6810151920H3591618H212H3b2519
MFCD03418534
ZINC000016700892
ZINC16700892
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