Vitas-M small molecule compound
6-methyl-4-phenyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722745
SMILES CC1CCCc2c1c1c(=O)n(c3ccccc3)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 C18H16N4OS2 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4OS2/c1-10-6-5-9-12-13(10)14-15(23)21(11-7-3-2-4-8-11)17-19-20-18(24)22(17)16(14)25-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,20,24)InChIKey
CRLRDKGVTZACNP-UHFFFAOYSA-NSynonyms
1mercapto6methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
6methyl4phenyl1sulfanyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=S)NN=C4N(C3=O)C5=CC=CC=C5
InChI=1SC18H16N4OS2c1106591213(10)1415(23)21(117324811)17192018(24)22(17)16(14)2512h247810H569H21H3(H2024)
MFCD02239472
ZINC000005559737
ZINC000005573875
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