Vitas-M small molecule compound

3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole

Catalog ID
STK465168
SMILES C=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 C17H18N6O2S2 MW 402.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O2S2/c1-2-7-22-16(14-10-26-15-6-4-3-5-13(14)15)19-20-17(22)27-11-21-9-12(8-18-21)23(24)25/h2,8-10H,1,3-7,11H2
InChIKey
MMCTVNRBXSCTSN-UHFFFAOYSA-N
Synonyms

3(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4(prop2en1yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((4nitropyrazol1yl)methylsulfanyl)4prop2enyl5(4567tetrahydro1benzothiophen3yl)124triazole
C=CCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3=CSC4=C3CCCC4
C=CCn1c(nnc1c1csc2c1CCCC2)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H18N6O2S2c1272216(14102615643513(14)15)192017(22)271121912(81821)23(24)25h2810H13711H2
MFCD06756098
ZINC000017082460
ZINC17082460

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Available files

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