Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702687
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCOC)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/c1-4-5-16-34-24-13-12-21(17-20(24)2)26-22(19-31(29-26)23-10-7-6-8-11-23)18-25-27(32)30(28(35)36-25)14-9-15-33-3/h6-8,10-13,17-19H,4-5,9,14-16H2,1-3H3/b25-18-InChIKey
AHEXXGMTMLYNFU-BWAHOGKJSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3methoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCOC)c1ccccc1
InChI=1SC28H31N3O3S2c145163424131221(1720(24)2)2622(1931(2926)23107681123)182527(32)30(28(35)3625)14915333h6810131719H4591416H213H3b2518
MFCD02992859
ZINC000013802106
ZINC13802106
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