Vitas-M small molecule compound
3-(3-chlorophenyl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK466803
SMILES Clc1cccc(c1)c1nnc(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 C13H11ClN6O2S MW 350.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN6O2S/c1-18-12(9-3-2-4-10(14)5-9)16-17-13(18)23-8-19-7-11(6-15-19)20(21)22/h2-7H,8H2,1H3InChIKey
XJHGAIIMVPRKQR-UHFFFAOYSA-NSynonyms
3(3chlorophenyl)4methyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
3(3chlorophenyl)4methyl5((4nitropyrazol1yl)methylsulfanyl)124triazole
5(3CHLOROPHENYL)4METHYL3((4NITROPYRAZOLYL)METHYLTHIO)124TRIAZOLE
Clc1cccc(c1)c1nnc(n1C)SCn1ncc(c1)(N+)(=O)(O)
CN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3=CC(=CC=C3)Cl
InChI=1SC13H11ClN6O2Sc11812(932410(14)59)161713(18)23819711(61519)20(21)22h27H8H21H3
MFCD06078397
ZINC000017072796
ZINC17072796
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