Vitas-M small molecule compound

(5Z)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK814564
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)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 C31H29N3O2S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S2/c1-4-17-36-26-15-16-27(21(2)18-26)29-24(20-33(32-29)25-13-9-6-10-14-25)19-28-30(35)34(31(37)38-28)22(3)23-11-7-5-8-12-23/h5-16,18-20,22H,4,17H2,1-3H3/b28-19-
InChIKey
LULQMXVSZJQZTR-USHMODERSA-N
Synonyms

(5Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(1phenylethyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
5((3(2METHYL4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(1PHENYLETHYL)2THIOXOTHIAZOLIDIN4ONE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)C5=CC=CC=C5)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)c1ccccc1
InChI=1SC31H29N3O2S2c14173626151627(21(2)1826)2924(2033(3229)251396101425)192830(35)34(31(37)3828)22(3)23117581223h516182022H417H213H3b2819
MFCD03665732
ZINC000002374048
ZINC000100872620

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Available files

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