Vitas-M small molecule compound

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

Catalog ID
STK702702
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-19(2)13-14-34-25-12-11-22(15-21(25)5)27-23(18-32(30-27)24-9-7-6-8-10-24)16-26-28(33)31(17-20(3)4)29(35)36-26/h6-12,15-16,18-20H,13-14,17H2,1-5H3/b26-16-
InChIKey
FFNYEGDCOLOIOQ-QQXSKIMKSA-N
Synonyms

(5Z)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3isobutyl5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CC(CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)OCCC(C)C
InChI=1SC29H33N3O2S2c119(2)13143425121122(1521(25)5)2723(1832(3027)2497681024)162628(33)31(1720(3)4)29(35)3626h61215161820H131417H215H3b2616
MFCD02996187
ZINC000013810111
ZINC13810111

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Available files

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