Vitas-M small molecule compound

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

Catalog ID
STK702691
SMILES CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C28H29N3O2S2 MW 503.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S2/c1-3-33-24-15-14-20(16-19(24)2)26-21(18-30(29-26)22-10-6-4-7-11-22)17-25-27(32)31(28(34)35-25)23-12-8-5-9-13-23/h4,6-7,10-11,14-18,23H,3,5,8-9,12-13H2,1-2H3/b25-17-
InChIKey
HDLLKVFTQGQWMY-UQQQWYQISA-N
Synonyms

(5Z)3cyclohexyl5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)C
CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC28H29N3O2S2c133324151420(1619(24)2)2621(1830(2926)22106471122)172527(32)31(28(34)3525)23128591323h4671011141823H35891213H212H3b2517
MFCD02993329
ZINC000002300126
ZINC02300126
ZINC2300126

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Available files

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