Vitas-M small molecule compound
3-(1-benzothiophen-3-yl)-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK465456
SMILES CCn1c(nnc1c1csc2c1cccc2)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 C16H14N6O2S2 MW 386.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O2S2/c1-2-21-15(13-9-25-14-6-4-3-5-12(13)14)18-19-16(21)26-10-20-8-11(7-17-20)22(23)24/h3-9H,2,10H2,1H3InChIKey
XTVHURSSHNSAJM-UHFFFAOYSA-NSynonyms
3(1benzothiophen3yl)4ethyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
3(1benzothiophen3yl)4ethyl5((4nitropyrazol1yl)methylsulfanyl)124triazole
3BENZO(B)THIOPHEN3YL4ETHYL5((4NITROPYRAZOLYL)METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3=CSC4=CC=CC=C43
InChI=1SC16H14N6O2S2c122115(1392514643512(13)14)181916(21)261020811(71720)22(23)24h39H210H21H3
MFCD06033468
ZINC000017078864
ZINC17078864
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