Vitas-M small molecule compound

(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK810222
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC)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 C26H27N3O2S2 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S2/c1-4-6-14-31-21-12-13-22(18(3)15-21)24-19(16-23-25(30)28(5-2)26(32)33-23)17-29(27-24)20-10-8-7-9-11-20/h7-13,15-17H,4-6,14H2,1-3H3/b23-16-
InChIKey
XTDWGMAYWBIZSN-KQWNVCNZSA-N
Synonyms
955888-50-3
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3ethyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3ethyl2thioxothiazolidin4one
955888503
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CC)c1ccccc1
InChI=1SC26H27N3O2S2c146143121121322(18(3)1521)2419(162325(30)28(52)26(32)3323)1729(2724)20108791120h7131517H4614H213H3b2316
MFCD03462500
ZINC000002507792
ZINC02507792
ZINC2507792

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Available files

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