Vitas-M small molecule compound
4-methyl-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
STK465157
SMILES Cn1c(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 C15H16N6O2S2 MW 376.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N6O2S2/c1-19-14(12-8-24-13-5-3-2-4-11(12)13)17-18-15(19)25-9-20-7-10(6-16-20)21(22)23/h6-8H,2-5,9H2,1H3InChIKey
JYTMICKBMJOLLI-UHFFFAOYSA-NSynonyms
4methyl3(((4nitro1Hpyrazol1yl)methyl)sulfanyl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
4methyl3((4nitropyrazol1yl)methylsulfanyl)5(4567tetrahydro1benzothiophen3yl)124triazole
CN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3=CSC4=C3CCCC4
InChI=1SC15H16N6O2S2c11914(1282413532411(12)13)171815(19)25920710(61620)21(22)23h68H259H21H3
MFCD06755996
ZINC000017076975
ZINC17076975
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