Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813364
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F)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 C28H21FN4O4S2 MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O4S2/c1-2-37-24-13-10-19(14-23(24)33(35)36)26-20(17-32(30-26)22-6-4-3-5-7-22)15-25-27(34)31(28(38)39-25)16-18-8-11-21(29)12-9-18/h3-15,17H,2,16H2,1H3/b25-15-InChIKey
USSCLVQDVXRIQP-MYYYXRDXSA-NSynonyms
(5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3(4fluorobenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4FLUOROPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(4ETHOXY3NITROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4FLUOROBENZYL)2THIOXOTHIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)F)c1ccccc1
InChI=1SC28H21FN4O4S2c123724131019(1423(24)33(35)36)2620(1732(3026)226435722)152527(34)31(28(38)3925)161881121(29)12918h31517H216H21H3b2515
MFCD04441517
ZINC000002533130
ZINC2533130
Check stock
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Check stock on Vitas-MAvailable files
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