Vitas-M small molecule compound

methyl 3-({4-chloro-5-[(E)-(2-{[4-(ethoxycarbonyl)phenyl]carbonyl}hydrazinylidene)methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoate

Catalog ID
STK649544
SMILES CCOC(=O)c1ccc(cc1)C(=O)N/N=C/c1sc(=O)n(c1Cl)Cc1cccc(c1)C(=O)OC

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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 C23H20ClN3O6S MW 501.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O6S/c1-3-33-22(30)16-9-7-15(8-10-16)20(28)26-25-12-18-19(24)27(23(31)34-18)13-14-5-4-6-17(11-14)21(29)32-2/h4-12H,3,13H2,1-2H3,(H,26,28)/b25-12+
InChIKey
PFEZLTKCZGATAR-BRJLIKDPSA-N
Synonyms
609790-87-6
(E)methyl3((4chloro5((2(4(ethoxycarbonyl)benzoyl)hydrazono)methyl)2oxothiazol3(2H)yl)methyl)benzoate
609790876
CCOC(=O)C1=CC=C(C=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)OC)Cl
CCOC(=O)c1ccc(cc1)C(=O)NN=Cc1sc(=O)n(c1Cl)Cc1cccc(c1)C(=O)OC
InChI=1SC23H20ClN3O6Sc133322(30)169715(81016)20(28)2625121819(24)27(23(31)3418)131454617(1114)21(29)322h412H313H212H3(H2628)b2512+
METHYL3((4CHLORO5((E)((4ETHOXYCARBONYLBENZOYL)HYDRAZINYLIDENE)METHYL)2OXO13THIAZOL3YL)METHYL)BENZOATE
methyl3((4chloro5((E)(2((4(ethoxycarbonyl)phenyl)carbonyl)hydrazinylidene)methyl)2oxo13thiazol3(2H)yl)methyl)benzoate
MFCD03682156
ZINC000002235887
ZINC33351294

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.