Vitas-M small molecule compound
4-ethyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK465360
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 C16H18N6O2S2 MW 390.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N6O2S2/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/h7-9H,2-6,10H2,1H3InChIKey
RCHFGFHXHQEBCW-UHFFFAOYSA-NSynonyms
4ethyl3(((4nitro1Hpyrazol1yl)methyl)sulfanyl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
4ethyl3((4nitropyrazol1yl)methylsulfanyl)5(4567tetrahydro1benzothiophen3yl)124triazole
CCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3=CSC4=C3CCCC4
CCn1c(nnc1c1csc2c1CCCC2)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC16H18N6O2S2c122115(1392514643512(13)14)181916(21)261020811(71720)22(23)24h79H2610H21H3
MFCD06755989
ZINC000017079663
ZINC17079663
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