Vitas-M small molecule compound
3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK466762
SMILES Clc1ccc(c(c1)C)OCCCc1nnc(n1C)SCn1ncc(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 C17H19ClN6O3S MW 422.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN6O3S/c1-12-8-13(18)5-6-15(12)27-7-3-4-16-20-21-17(22(16)2)28-11-23-10-14(9-19-23)24(25)26/h5-6,8-10H,3-4,7,11H2,1-2H3InChIKey
CEUQTMDKSCQUEI-UHFFFAOYSA-NSynonyms
3(3(4chloro2methylphenoxy)propyl)4methyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
3(3(4chloro2methylphenoxy)propyl)4methyl5((4nitropyrazol1yl)methylsulfanyl)124triazole
4CHLORO2METHYL1(3(4METHYL5((4NITROPYRAZOLYL)METHYLTHIO)(124TRIAZOL3YL))PROPOXY)BENZENE
CC1=C(C=CC(=C1)Cl)OCCCC2=NN=C(N2C)SCN3C=C(C=N3)(N+)(=O)(O)
Clc1ccc(c(c1)C)OCCCc1nnc(n1C)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H19ClN6O3Sc112813(18)5615(12)2773416202117(22(16)2)2811231014(91923)24(25)26h56810H34711H212H3
MFCD06113180
ZINC000017093338
ZINC17093338
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