Vitas-M small molecule compound

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

Catalog ID
STK799162
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-3-13-33-22-11-12-24(19(2)15-22)26-20(17-31(29-26)21-8-5-4-6-9-21)16-25-27(32)30(28(35)36-25)18-23-10-7-14-34-23/h4-6,8-9,11-12,15-17,23H,3,7,10,13-14,18H2,1-2H3/b25-16-
InChIKey
SENGGFQUSSIXPE-XYGWBWBKSA-N
Synonyms
955867-40-0
(5Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
955867400
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5)C
InChI=1SC28H29N3O3S2c13133322111224(19(2)1522)2620(1731(2926)218546921)162527(32)30(28(35)3625)1823107143423h46891112151723H3710131418H212H3b2516
MFCD03418443
ZINC000002194401
ZINC000002194403

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Available files

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