Vitas-M small molecule compound
ethyl 4-{[(2Z)-2-{1-cyano-2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl}benzoate
Catalog ID
STL069921
SMILES CCOC(=O)c1ccc(cc1)CC1S/C(=C(\C(=O)N2CCN(CC2)c2ccccc2C)/C#N)/N(C1=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 C33H32N4O4S MW 580.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4S/c1-3-41-33(40)25-15-13-24(14-16-25)21-29-31(39)37(26-10-5-4-6-11-26)32(42-29)27(22-34)30(38)36-19-17-35(18-20-36)28-12-8-7-9-23(28)2/h4-16,29H,3,17-21H2,1-2H3/b32-27-InChIKey
MAUFFDQVJFIOPZ-MXNGAVTRSA-NSynonyms
(Z)ethyl4((2(1cyano2oxo2(4(otolyl)piperazin1yl)ethylidene)4oxo3phenylthiazolidin5yl)methyl)benzoate
CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4C)S2)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)CC1SC(=C(C(=O)N2CCN(CC2)c2ccccc2C)C#N)N(C1=O)c1ccccc1
ethyl4(((2Z)2(1cyano2(4(2methylphenyl)piperazin1yl)2oxoethylidene)4oxo3phenyl13thiazolidin5yl)methyl)benzoate
ETHYL4((2(1CYANO2(4(2METHYLPHENYL)PIPERAZINYL)2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YL)METHYL)BENZOATE
InChI=1SC33H32N4O4Sc134133(40)25151324(141625)212931(39)37(26105461126)32(4229)27(2234)30(38)36191735(182036)281287923(28)2h41629H31721H212H3b3227
MFCD03295488
ZINC000029503300
ZINC000029503305
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.