Vitas-M small molecule compound

(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK629546
SMILES CCc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)C2CCCCC2)C)/C1=O)S

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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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c1-4-18-10-12-21(13-11-18)28-24(30)22(23(29)26-25(28)31)15-19-14-16(2)27(17(19)3)20-8-6-5-7-9-20/h10-15,20H,4-9H2,1-3H3,(H,26,29,31)/b22-15+
InChIKey
OABKDYLLAMSCTE-PXLXIMEGSA-N
Synonyms

CCc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)C2CCCCC2)C)C1=O)S
MFCD09794238
ZINC000000858026

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Available files

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