Vitas-M small molecule compound

[5-chloro-2-(propan-2-ylsulfanyl)pyrimidin-4-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone

Catalog ID
STK820515
SMILES COc1ccccc1N1CCN(CC1)C(=O)c1nc(ncc1Cl)SC(C)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 C19H23ClN4O2S MW 406.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O2S/c1-13(2)27-19-21-12-14(20)17(22-19)18(25)24-10-8-23(9-11-24)15-6-4-5-7-16(15)26-3/h4-7,12-13H,8-11H2,1-3H3
InChIKey
JVCCOWJSFRWTMZ-UHFFFAOYSA-N
Synonyms

(5chloro2(propan2ylsulfanyl)pyrimidin4yl)(4(2methoxyphenyl)piperazin1yl)methanone
(5chloro2propan2ylsulfanylpyrimidin4yl)(4(2methoxyphenyl)piperazin1yl)methanone
CC(C)SC1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)Cl
InChI=1SC19H23ClN4O2Sc113(2)2719211214(20)17(2219)18(25)2410823(91124)15645716(15)263h471213H811H213H3
MFCD08548758
ZINC000009185296
ZINC09185296
ZINC9185296

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Available files

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