Vitas-M small molecule compound

(5E)-1-(2,5-dimethoxyphenyl)-5-({[3-(dimethylamino)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK560923
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C\NCCCN(C)C)/C1=O)S)OC

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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 C18H24N4O4S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O4S/c1-21(2)9-5-8-19-11-13-16(23)20-18(27)22(17(13)24)14-10-12(25-3)6-7-15(14)26-4/h6-7,10-11,19H,5,8-9H2,1-4H3,(H,20,23,27)/b13-11+
InChIKey
IHXGTJLQVVXZHA-ACCUITESSA-N
Synonyms

COc1ccc(c(c1)N1C(=NC(=O)C(=CNCCCN(C)C)C1=O)S)OC
MFCD03798702
ZINC000019948939
ZINC000102500087

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Available files

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