Vitas-M small molecule compound
methyl 2-[(2E)-2-{cyano[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylidene}hydrazinyl]benzoate
Catalog ID
STK768886
SMILES N#C/C(=N\Nc1ccccc1C(=O)OC)/c1scc(n1)c1c(=O)n(n(c1C)C)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 C24H20N6O3S MW 472.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N6O3S/c1-15-21(23(31)30(29(15)2)16-9-5-4-6-10-16)20-14-34-22(26-20)19(13-25)28-27-18-12-8-7-11-17(18)24(32)33-3/h4-12,14,27H,1-3H3/b28-19+InChIKey
CGFIHAIUGBQXLN-TURZUDJPSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=N3)C(=NNC4=CC=CC=C4C(=O)OC)C#N
InChI=1SC24H20N6O3Sc11521(23(31)30(29(15)2)1695461016)20143422(2620)19(1325)28271812871117(18)24(32)333h4121427H13H3b2819+
METHYL2(((1E)2(4(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))(13THIAZOL2YL))2CYANO1AZAVINYL)AMINO)BENZOATE
methyl2((2E)2(cyano(4(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)13thiazol2yl)methylidene)hydrazinyl)benzoate
METHYL2((2E)2(CYANO(4(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)13THIAZOL2YL)METHYLIDENE)HYDRAZINYL)BENZOATE
MFCD03408098
N#CC(=NNc1ccccc1C(=O)OC)c1scc(n1)c1c(=O)n(n(c1C)C)c1ccccc1
ZINC000012372101
ZINC35059732
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