Vitas-M small molecule compound
[(5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK706604
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(=O)O)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 C25H22ClN3O4S2 MW 528.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4S2/c1-2-3-11-33-20-10-9-16(12-19(20)26)23-17(14-29(27-23)18-7-5-4-6-8-18)13-21-24(32)28(15-22(30)31)25(34)35-21/h4-10,12-14H,2-3,11,15H2,1H3,(H,30,31)/b21-13-InChIKey
BNSRTMZAFZFLDU-BKUYFWCQSA-NSynonyms
1009187-78-3((5Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
1009187783
2((5Z)5((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
InChI=1SC25H22ClN3O4S2c12311332010916(1219(20)26)2317(1429(2723)187546818)132124(32)28(1522(30)31)25(34)3521h4101214H231115H21H3(H3031)b2113
MFCD04006177
ZINC000101030474
ZINC101030474
Check stock
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Check stock on Vitas-MAvailable files
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