Vitas-M small molecule compound

N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide

Catalog ID
STK316370
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)C(n1ncc(c1)[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 C17H19N5O3S MW 373.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O3S/c1-3-11-4-5-13-14(7-18)17(26-15(13)6-11)20-16(23)10(2)21-9-12(8-19-21)22(24)25/h8-11H,3-6H2,1-2H3,(H,20,23)
InChIKey
XCOPCYIKPPYYMW-UHFFFAOYSA-N
Synonyms
1005559-46-5
1005559465
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)N3C=C(C=N3)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C#N)NC(=O)C(n1ncc(c1)(N+)(=O)(O))C
InChI=1SC17H19N5O3Sc1311451314(718)17(2615(13)611)2016(23)10(2)21912(81921)22(24)25h811H36H212H3(H2023)
MFCD06197462
N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)2(4nitro1Hpyrazol1yl)propanamide
N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)2(4nitropyrazol1yl)propanamide
ZINC000002761494
ZINC000002761497

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Available files

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