Vitas-M small molecule compound

1-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(2-methylpropyl)thiourea

Catalog ID
STK421287
SMILES CC(CNC(=S)Nc1c(C)nn(c1C)Cc1ccccc1C)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 C18H26N4S MW 330.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N4S/c1-12(2)10-19-18(23)20-17-14(4)21-22(15(17)5)11-16-9-7-6-8-13(16)3/h6-9,12H,10-11H2,1-5H3,(H2,19,20,23)
InChIKey
WHWBZZWBYRRPOF-UHFFFAOYSA-N
Synonyms
896532-52-8
1(35DIMETHYL1((2METHYLPHENYL)METHYL)PYRAZOL4YL)3(2METHYLPROPYL)THIOUREA
1(35dimethyl1(2methylbenzyl)1Hpyrazol4yl)3(2methylpropyl)thiourea
896532528
CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCC(C)C)C
InChI=1SC18H26N4Sc112(2)101918(23)201714(4)2122(15(17)5)1116976813(16)3h6912H1011H215H3(H2192023)
MFCD04054064
ZINC000002793471
ZINC02793471
ZINC2793471

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Available files

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