Vitas-M small molecule compound

(5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK561483
SMILES CCN(CCN/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S)CC

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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 C20H28N4O2S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S/c1-5-23(6-2)12-11-21-13-17-18(25)22-20(27)24(19(17)26)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,21H,5-6,11-12H2,1-4H3,(H,22,25,27)/b17-13+
InChIKey
NGDISMVODASVRW-GHRIWEEISA-N
Synonyms

CCN(CCNC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S)CC
MFCD03802663
ZINC000002301947
ZINC000102504259

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Available files

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