Vitas-M small molecule compound

N-[3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Catalog ID
STL396512
SMILES CC(Cn1ncc(c1)Cl)CNC(=O)c1cc2c(s1)CCCC2

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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 C16H20ClN3OS MW 337.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3OS/c1-11(9-20-10-13(17)8-19-20)7-18-16(21)15-6-12-4-2-3-5-14(12)22-15/h6,8,10-11H,2-5,7,9H2,1H3,(H,18,21)
InChIKey
RTHJSUCAGKYEDG-UHFFFAOYSA-N
Synonyms
1006342-79-5
1006342795
CC(CNC(=O)C1=CC2=C(S1)CCCC2)CN3C=C(C=N3)Cl
InChI=1SC16H20ClN3OSc111(9201013(17)81920)71816(21)15612423514(12)2215h681011H2579H21H3(H1821)
MFCD08557439
N(3(4chloro1Hpyrazol1yl)2methylpropyl)4567tetrahydro1benzothiophene2carboxamide
N(3(4chloropyrazol1yl)2methylpropyl)4567tetrahydro1benzothiophene2carboxamide
ZINC000020606754
ZINC000020606755

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.