Vitas-M small molecule compound
1-(3-methylphenyl)-4-thioxo-1,3,4,5,6,7-hexahydro-2H-cyclopenta[d]pyrimidin-2-one
Catalog ID
STL208820
SMILES Cc1cccc(c1)n1c(=O)[nH]c(=S)c2c1CCC2
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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 C14H14N2OS MW 258.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2OS/c1-9-4-2-5-10(8-9)16-12-7-3-6-11(12)13(18)15-14(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,15,17,18)InChIKey
LGYHNYUVCPRTMB-UHFFFAOYSA-NSynonyms
1(3methylphenyl)4sulfanylidene67dihydro5Hcyclopenta(d)pyrimidin2one
1(3methylphenyl)4thioxo134567hexahydro2Hcyclopenta(d)pyrimidin2one
CC1=CC(=CC=C1)N2C3=C(CCC3)C(=S)NC2=O
Cc1cccc(c1)n1c(=O)(nH)c(=S)c2c1CCC2
InChI=1SC14H14N2OSc1942510(89)161273611(12)13(18)1514(16)17h2458H367H21H3(H151718)
MFCD12919847
ZINC000027991338
ZINC27991338
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