Vitas-M small molecule compound

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

Catalog ID
STK598450
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

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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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-5-6-10-15-31-28(33)26(36-29(31)35)17-22-18-32(23-11-8-7-9-12-23)30-27(22)25-14-13-24(16-21(25)4)34-19-20(2)3/h7-9,11-14,16-18,20H,5-6,10,15,19H2,1-4H3/b26-17-
InChIKey
AJFXQHBZNNOGJD-ONUIUJJFSA-N
Synonyms
956158-00-2
(5Z)5((3(2methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(2methyl4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
(Z)5((3(4isobutoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3pentyl2thioxothiazolidin4one
5((3(2METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLENE)3PENTYL2THIOXO13THIAZOLIDIN4ONE
956158002
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c15610153128(33)26(3629(31)35)17221832(23118791223)3027(22)25141324(1621(25)4)341920(2)3h791114161820H56101519H214H3b2617
MFCD03668430
ZINC000009234301
ZINC09234301
ZINC9234301

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Available files

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