Vitas-M small molecule compound

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

Catalog ID
STK813837
SMILES CC(COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)c1ccccc1)C

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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 C28H29N3O2S2 MW 503.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S2/c1-19(2)18-33-24-14-12-20(13-15-24)26-21(17-30(29-26)22-8-4-3-5-9-22)16-25-27(32)31(28(34)35-25)23-10-6-7-11-23/h3-5,8-9,12-17,19,23H,6-7,10-11,18H2,1-2H3/b25-16-
InChIKey
VKEQZIBGGDBOLD-XYGWBWBKSA-N
Synonyms
624724-28-3
(5Z)3cyclopentyl5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOPENTYL5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3CYCLOPENTYL5((3(4ISOBUTOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
624724283
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5
CC(COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1)C
InChI=1SC28H29N3O2S2c119(2)183324141220(131524)2621(1730(2926)228435922)162527(32)31(28(34)3525)2310671123h358912171923H67101118H212H3b2516
MFCD04441787
ZINC000002533309
ZINC02533309
ZINC2533309

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.