Vitas-M small molecule compound

7-ethyl-4,7-dimethyl-1-sulfanyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK722744
SMILES CCC1(C)OCc2c(C1)c1c(=O)n(C)c3n(c1s2)c(S)nn3

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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 C14H16N4O2S2 MW 336.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O2S2/c1-4-14(2)5-7-8(6-20-14)22-11-9(7)10(19)17(3)12-15-16-13(21)18(11)12/h4-6H2,1-3H3,(H,16,21)
InChIKey
IYGJEADDELNMLR-UHFFFAOYSA-N
Synonyms

7ethyl1mercapto47dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
7ethyl47dimethyl1sulfanyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)C)C
InChI=1SC14H16N4O2S2c1414(2)578(62014)22119(7)10(19)17(3)12151613(21)18(11)12h46H213H3(H1621)
MFCD02234738
ZINC000005686591
ZINC000005686630

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Available files

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