Vitas-M small molecule compound
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK466206
SMILES CCn1c(COc2ccc(c(c2)C)Cl)nnc1SCn1ncc(c1)[N+](=O)[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 C16H17ClN6O3S MW 408.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN6O3S/c1-3-22-15(9-26-13-4-5-14(17)11(2)6-13)19-20-16(22)27-10-21-8-12(7-18-21)23(24)25/h4-8H,3,9-10H2,1-2H3InChIKey
RYBJOUCZDRJKRI-UHFFFAOYSA-NSynonyms
1CHLORO4((4ETHYL5((4NITROPYRAZOLYL)METHYLTHIO)(124TRIAZOL3YL))METHOXY)2METHYLBENZENE
3((4chloro3methylphenoxy)methyl)4ethyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
3((4chloro3methylphenoxy)methyl)4ethyl5((4nitropyrazol1yl)methylsulfanyl)124triazole
CCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))COC3=CC(=C(C=C3)Cl)C
CCn1c(COc2ccc(c(c2)C)Cl)nnc1SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC16H17ClN6O3Sc132215(926134514(17)11(2)613)192016(22)271021812(71821)23(24)25h48H3910H212H3
MFCD06114910
ZINC000017088124
ZINC17088124
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