Vitas-M small molecule compound

3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propane-1,2-diol

Catalog ID
STK579467
SMILES OCC(CSc1nc(nc2c1CCC2)c1ccccc1)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 C16H18N2O2S MW 302.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O2S/c19-9-12(20)10-21-16-13-7-4-8-14(13)17-15(18-16)11-5-2-1-3-6-11/h1-3,5-6,12,19-20H,4,7-10H2
InChIKey
GAWWRZRLRQHTSY-UHFFFAOYSA-N
Synonyms
848681-85-6
3((2phenyl67dihydro5Hcyclopenta(d)pyrimidin4yl)sulfanyl)propane12diol
3((2phenyl67dihydro5Hcyclopenta(d)pyrimidin4yl)thio)propane12diol
3(2PHENYL67DIHYDRO5HCYCLOPENTAPYRIMIDIN4YLSULFANYL)PROPANE12DIOL
848681856
C1CC2=C(C1)N=C(N=C2SCC(CO)O)C3=CC=CC=C3
InChI=1SC16H18N2O2Sc19912(20)1021161374814(13)1715(1816)115213611h1356121920H4710H2
MFCD04191331
ZINC000000544037
ZINC000000544038

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Available files

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