Vitas-M small molecule compound

1-cycloheptyl-3-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]thiourea

Catalog ID
STL394791
SMILES S=C(Nc1cnn(c1)Cc1ccccc1C)NC1CCCCCC1

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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 C19H26N4S MW 342.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4S/c1-15-8-6-7-9-16(15)13-23-14-18(12-20-23)22-19(24)21-17-10-4-2-3-5-11-17/h6-9,12,14,17H,2-5,10-11,13H2,1H3,(H2,21,22,24)
InChIKey
XSOFMXNOXSPWSL-UHFFFAOYSA-N
Synonyms
1005676-51-6
1005676516
1CYCLOHEPTYL3(1((2METHYLPHENYL)METHYL)PYRAZOL4YL)THIOUREA
1CYCLOHEPTYL3(1(2METHYLBENZYL)1HPYRAZOL4YL)THIOUREA
CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3CCCCCC3
InChI=1SC19H26N4Sc115867916(15)13231418(122023)2219(24)21171042351117h69121417H25101113H21H3(H2212224)
MFCD04133396
ZINC000002799406
ZINC02799406
ZINC2799406

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Available files

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