Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813094
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(CCCC)CC)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-4-7-12-23(6-3)21-33-30(35)28(38-31(33)37)20-25-22-34(26-13-10-9-11-14-26)32-29(25)24-15-17-27(18-16-24)36-19-8-5-2/h9-11,13-18,20,22-23H,4-8,12,19,21H2,1-3H3/b28-20-InChIKey
BWTWDAIKKYFIGN-RRAHZORUSA-NSynonyms
(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2ETHYLHEXYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(2ethylhexyl)2thioxothiazolidin4one
5((3(4BUTOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(2ETHYLHEXYL)2THIOXOTHIAZOLIDIN4ONE
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCC)C4=CC=CC=C4)SC1=S
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CC(CCCC)CC)c1ccccc1
InChI=1SC31H37N3O2S2c1471223(63)213330(35)28(3831(33)37)20252234(2613109111426)3229(25)24151727(181624)3619852h9111318202223H48121921H213H3b2820
MFCD02986199
ZINC000100756085
ZINC000100756087
Check stock
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Check stock on Vitas-MAvailable files
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