Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702467
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC)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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-4-6-15-32-23-13-12-20(16-19(23)3)25-21(18-30(28-25)22-10-8-7-9-11-22)17-24-26(31)29(14-5-2)27(33)34-24/h7-13,16-18H,4-6,14-15H2,1-3H3/b24-17-InChIKey
JNAYCGBODSQZLS-ULJHMMPZSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3propyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROPYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3propyl2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC)C4=CC=CC=C4)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCC)c1ccccc1
InChI=1SC27H29N3O2S2c146153223131220(1619(23)3)2521(1830(2825)22108791122)172426(31)29(1452)27(33)3424h7131618H461415H213H3b2417
MFCD02998288
ZINC000002308495
ZINC02308495
ZINC2308495
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