Vitas-M small molecule compound

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

Catalog ID
STK703032
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC(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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-5-6-7-11-17-33-30(35)28(38-31(33)37)20-25-21-34(26-12-9-8-10-13-26)32-29(25)24-14-15-27(23(4)19-24)36-18-16-22(2)3/h8-10,12-15,19-22H,5-7,11,16-18H2,1-4H3/b28-20-
InChIKey
IKYOUPRHHRIYER-RRAHZORUSA-N
Synonyms

(5Z)3hexyl5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(3methyl4(3methylbutoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3hexyl5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c156711173330(35)28(3831(33)37)20252134(261298101326)3229(25)24141527(23(4)1924)36181622(2)3h81012151922H57111618H214H3b2820
MFCD02989437
ZINC000100768971
ZINC100768971

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Available files

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