Vitas-M small molecule compound

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-4-carboxamide

Catalog ID
STL401658
SMILES N#Cc1c(NC(=O)c2cnn(c2)C)sc2c1CCCCC2

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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 C15H16N4OS MW 300.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4OS/c1-19-9-10(8-17-19)14(20)18-15-12(7-16)11-5-3-2-4-6-13(11)21-15/h8-9H,2-6H2,1H3,(H,18,20)
InChIKey
XKIMJXODZUTEBO-UHFFFAOYSA-N
Synonyms
1005674-22-5
1005674225
CN1C=C(C=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N
InChI=1SC15H16N4OSc119910(81719)14(20)181512(716)115324613(11)2115h89H26H21H3(H1820)
MFCD04047153
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)1methyl1Hpyrazole4carboxamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)1methylpyrazole4carboxamide
ZINC000002755693
ZINC02755693
ZINC2755693

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Available files

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