Vitas-M small molecule compound

1,3-dimethyl-5-[(piperidin-1-ylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK534828
SMILES CN1C(=S)N(C)C(=O)C(=CNN2CCCCC2)C1=O

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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 C12H18N4O2S MW 282.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O2S/c1-14-10(17)9(11(18)15(2)12(14)19)8-13-16-6-4-3-5-7-16/h8,13H,3-7H2,1-2H3
InChIKey
JOSUOEPSCSFXMM-UHFFFAOYSA-N
Synonyms

13dimethyl5((piperidin1ylamino)methylene)2thioxodihydropyrimidine46(1H5H)dione
13DIMETHYL5((PIPERIDIN1YLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13dimethyl5((piperidin1ylamino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CN1C(=O)C(=CNN2CCCCC2)C(=O)N(C1=S)C
InChI=1SC12H18N4O2Sc11410(17)9(11(18)15(2)12(14)19)813166435716h813H37H212H3
MFCD02985942
ZINC000005982157
ZINC05982157
ZINC5982157

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Available files

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