Vitas-M small molecule compound

1,3-diethyl-5-[2-methyl-4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187205
SMILES CCN1C(=O)C(=Cc2ccc(cc2C)N2CCCC2)C(=O)N(C1=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 C20H25N3O2S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S/c1-4-22-18(24)17(19(25)23(5-2)20(22)26)13-15-8-9-16(12-14(15)3)21-10-6-7-11-21/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKey
YGTPKWFLNDYBCH-UHFFFAOYSA-N
Synonyms

13DIETHYL5((2METHYL4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIETHYL5(2METHYL4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=C(C=C(C=C2)N3CCCC3)C)C(=O)N(C1=S)CC
InChI=1SC20H25N3O2Sc142218(24)17(19(25)23(52)20(22)26)13158916(1214(15)3)2110671121h891213H471011H213H3
MFCD03706572
ZINC000001150764
ZINC01150764
ZINC1150764

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Available files

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