Vitas-M small molecule compound

5-[4-(butan-2-yloxy)benzylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187245
SMILES CCC(Oc1ccc(cc1)C=C1C(=O)N(C)C(=S)N(C1=O)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 C17H20N2O3S MW 332.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3S/c1-5-11(2)22-13-8-6-12(7-9-13)10-14-15(20)18(3)17(23)19(4)16(14)21/h6-11H,5H2,1-4H3
InChIKey
SDKCVGAEODGAEO-UHFFFAOYSA-N
Synonyms

5((4BUTAN2YLOXYPHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(4(BUTAN2YLOXY)BENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)OC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C
InChI=1SC17H20N2O3Sc1511(2)22138612(7913)101415(20)18(3)17(23)19(4)16(14)21h611H5H214H3
MFCD03706667
ZINC000000303067
ZINC000000303069

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Available files

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