Vitas-M small molecule compound

2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK969008
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C

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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 C17H21N5O4S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O4S/c1-8-4-5-11-12(6-8)27-17(14(11)16(18)24)19-13(23)7-21-10(3)15(22(25)26)9(2)20-21/h8H,4-7H2,1-3H3,(H2,18,24)(H,19,23)
InChIKey
JPRHOCHHXYNOTF-UHFFFAOYSA-N
Synonyms
355805-24-2
2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
355805242
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC17H21N5O4Sc18451112(68)2717(14(11)16(18)24)1913(23)72110(3)15(22(25)26)9(2)2021h8H47H213H3(H21824)(H1923)
MFCD01450521
ZINC000002081450
ZINC000002081451

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Available files

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