Vitas-M small molecule compound

N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide

Catalog ID
STK317631
SMILES N#Cc1c(NC(=S)NC(=O)c2ccccc2C)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 C19H19N3OS2 MW 369.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3OS2/c1-12-7-5-6-8-13(12)17(23)21-19(24)22-18-15(11-20)14-9-3-2-4-10-16(14)25-18/h5-8H,2-4,9-10H2,1H3,(H2,21,22,23,24)
InChIKey
KTONBBOIFGMBBR-UHFFFAOYSA-N
Synonyms
445236-79-3
445236793
CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N
InChI=1SC19H19N3OS2c112756813(12)17(23)2119(24)221815(1120)1493241016(14)2518h58H24910H21H3(H221222324)
MFCD02374062
N((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)2methylbenzamide
ZINC000002775591
ZINC02775591
ZINC2775591

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Available files

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