Vitas-M small molecule compound
2-[(2E)-2-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}hydrazinyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
Catalog ID
STK205674
SMILES COc1ccc(cc1Cn1ncc(c1)Cl)/C=N/Nc1scc(n1)c1ccc2c(c1)OCCO2
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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 C23H20ClN5O3S MW 481.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O3S/c1-30-20-4-2-15(8-17(20)12-29-13-18(24)11-26-29)10-25-28-23-27-19(14-33-23)16-3-5-21-22(9-16)32-7-6-31-21/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,27,28)/b25-10+InChIKey
QZPCLEVAXKGMRL-KIBLKLHPSA-NSynonyms
957016-46-52((2E)2(3((4CHLORO1HPYRAZOL1YL)METHYL)4METHOXYBENZYLIDENE)HYDRAZINYL)4(23DIHYDRO14BENZODIOXIN6YL)13THIAZOLE
957016465
COC1=C(C=C(C=C1)C=NNC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4)CN5C=C(C=N5)Cl
COc1ccc(cc1Cn1ncc(c1)Cl)C=NNc1scc(n1)c1ccc2c(c1)OCCO2
InChI=1SC23H20ClN5O3Sc130204215(817(20)12291318(24)112629)102528232719(143323)16352122(916)32763121h258111314H6712H21H3(H2728)b2510+
MFCD06666731
N((E)(3((4chloropyrazol1yl)methyl)4methoxyphenyl)methylideneamino)4(23dihydro14benzodioxin6yl)13thiazol2amine
ZINC000009971567
ZINC96585922
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