Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810215
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCOCC)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 C29H33N3O3S2 MW 535.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S2/c1-4-6-17-35-24-13-14-25(21(3)18-24)27-22(20-32(30-27)23-11-8-7-9-12-23)19-26-28(33)31(29(36)37-26)15-10-16-34-5-2/h7-9,11-14,18-20H,4-6,10,15-17H2,1-3H3/b26-19-InChIKey
IEZQULAXQXDWQI-XHPQRKPJSA-NSynonyms
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3ETHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCOCC)c1ccccc1
InChI=1SC29H33N3O3S2c146173524131425(21(3)1824)2722(2032(3027)23118791223)192628(33)31(29(36)3726)1510163452h7911141820H46101517H213H3b2619
MFCD03462493
ZINC000100840162
ZINC100840162
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