Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813465
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)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 C32H31N3O2S2 MW 553.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2S2/c1-4-5-17-37-28-16-15-25(18-23(28)3)30-26(21-35(33-30)27-9-7-6-8-10-27)19-29-31(36)34(32(38)39-29)20-24-13-11-22(2)12-14-24/h6-16,18-19,21H,4-5,17,20H2,1-3H3/b29-19-InChIKey
FVEHRPXLURGKAC-CEUNXORHSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(4BUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4METHYLBENZYL)2THIOXOTHIAZOLIDIN4ONE
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC32H31N3O2S2c145173728161525(1823(28)3)3026(2135(3330)2797681027)192931(36)34(32(38)3929)2024131122(2)121424h616181921H451720H213H3b2919
MFCD04441585
ZINC000100871484
ZINC100871484
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