Vitas-M small molecule compound
3-[(5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STL054873
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O
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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 C26H25N3O4S2 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S2/c1-16(2)33-20-9-10-21(17(3)13-20)24-18(15-29(27-24)19-7-5-4-6-8-19)14-22-25(32)28(26(34)35-22)12-11-23(30)31/h4-10,13-16H,11-12H2,1-3H3,(H,30,31)/b22-14-InChIKey
VYQZXFXBTRFHQJ-HMAPJEAMSA-NSynonyms
1010870-99-1(Z)3(5((3(4isopropoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
1010870991
3((5Z)5((3(2methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(2METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CC1=C(C=CC(=C1)OC(C)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4
InChI=1SC26H25N3O4S2c116(2)332091021(17(3)1320)2418(1529(2724)197546819)142225(32)28(26(34)3522)121123(30)31h4101316H1112H213H3(H3031)b2214
MFCD03667013
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)C1=O
ZINC000013811272
ZINC13811272
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.