Vitas-M small molecule compound
(5Z)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799007
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-4-5-6-10-17-34-25-15-13-22(14-16-25)27-23(20-32(30-27)24-11-8-7-9-12-24)18-26-28(33)31(19-21(2)3)29(35)36-26/h7-9,11-16,18,20-21H,4-6,10,17,19H2,1-3H3/b26-18-InChIKey
OFXPYESSGXKXDZ-ITYLOYPMSA-NSynonyms
955870-43-6(5Z)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3isobutyl2thioxothiazolidin4one
955870436
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1
InChI=1SC29H33N3O2S2c145610173425151322(141625)2723(2032(3027)24118791224)182628(33)31(1921(2)3)29(35)3626h791116182021H46101719H213H3b2618
MFCD03462193
ZINC000009360335
ZINC09360335
ZINC9360335
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