Vitas-M small molecule compound
(5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK556601
SMILES CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-4-5-14-32-23-13-9-10-20(15-23)25-21(18-30(28-25)22-11-7-6-8-12-22)16-24-26(31)29(17-19(2)3)27(33)34-24/h6-13,15-16,18-19H,4-5,14,17H2,1-3H3/b24-16-InChIKey
SMNSSKDYAZDTKU-JLPGSUDCSA-NSynonyms
1008883-27-9(5Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(3BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3isobutyl2thioxothiazolidin4one
1008883279
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4
CCCCOc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1
InChI=1SC27H29N3O2S2c1451432231391020(1523)2521(1830(2825)22117681222)162426(31)29(1719(2)3)27(33)3424h61315161819H451417H213H3b2416
MFCD04019171
ZINC000013514247
ZINC000102474879
ZINC13514247
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