Vitas-M small molecule compound
(5Z)-5-{[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(2-cyclopentylethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK115338
SMILES S=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2)C2CCCCC2)C)/C(=O)N1CCC1CCCC1
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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 C29H36N2OS2 MW 492.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2OS2/c1-20-18-25(19-27-28(32)30(29(33)34-27)17-16-22-8-6-7-9-22)21(2)31(20)26-14-12-24(13-15-26)23-10-4-3-5-11-23/h12-15,18-19,22-23H,3-11,16-17H2,1-2H3/b27-19-InChIKey
HKPNOVNHDOEMMK-DIBXZPPDSA-NSynonyms
(5Z)5((1(4CYCLOHEXYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)3(2CYCLOPENTYLETHYL)2THIOXO13THIAZOLIDIN4ONE
(5Z)5((1(4CYCLOHEXYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3(2CYCLOPENTYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC(=C(N1C2=CC=C(C=C2)C3CCCCC3)C)C=C4C(=O)N(C(=S)S4)CCC5CCCC5
InChI=1SC29H36N2OS2c1201825(192728(32)30(29(33)3427)171622867922)21(2)31(20)26141224(131526)23104351123h121518192223H3111617H212H3b2719
MFCD04128407
S=C1SC(=Cc2cc(n(c2C)c2ccc(cc2)C2CCCCC2)C)C(=O)N1CCC1CCCC1
ZINC000009805310
ZINC09805310
ZINC9805310
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