Vitas-M small molecule compound

(5Z)-3-(butan-2-yl)-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK814437
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2c(C)cc(cc2C)C)c2ccccc2)/C1=O)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 C26H27N3OS2 MW 461.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3OS2/c1-6-19(5)29-25(30)22(32-26(29)31)14-20-15-28(21-10-8-7-9-11-21)27-24(20)23-17(3)12-16(2)13-18(23)4/h7-15,19H,6H2,1-5H3/b22-14-
InChIKey
IEUPTAVCTLOQNB-HMAPJEAMSA-N
Synonyms

(5Z)3(butan2yl)5((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((1phenyl3(246trimethylphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(secbutyl)5((3mesityl1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
3(SECBUTYL)5((3MESITYL1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3C)C)C)C4=CC=CC=C4)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2c(C)cc(cc2C)C)c2ccccc2)C1=O)C
InChI=1SC26H27N3OS2c1619(5)2925(30)22(3226(29)31)14201528(21108791121)2724(20)2317(3)1216(2)1318(23)4h71519H6H215H3b2214
MFCD03667941
ZINC000002195663
ZINC000002195665

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Available files

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