Vitas-M small molecule compound

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

Catalog ID
STK813200
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-5-6-7-8-12-18-33-30(35)28(38-31(33)37)19-24-20-34(25-14-10-9-11-15-25)32-29(24)26-16-13-17-27(23(26)4)36-21-22(2)3/h9-11,13-17,19-20,22H,5-8,12,18,21H2,1-4H3/b28-19-
InChIKey
BIFMDSJZOBCXMX-USHMODERSA-N
Synonyms

(5Z)3heptyl5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3heptyl5((3(2methyl3(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3HEPTYL5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C(=CC=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c1567812183330(35)28(3831(33)37)19242034(2514109111525)3229(24)2616131727(23(26)4)362122(2)3h9111317192022H58121821H214H3b2819
MFCD04441442
ZINC000100871158
ZINC100871158

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Available files

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