Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(2-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK836361
SMILES COc1ccccc1n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCc1s2
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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 C24H20N2O4S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O4S2/c1-28-17-7-3-2-6-16(17)26-23(27)21-15-5-4-8-20(15)32-22(21)25-24(26)31-12-14-9-10-18-19(11-14)30-13-29-18/h2-3,6-7,9-11H,4-5,8,12-13H2,1H3InChIKey
WOCPOMBTMPNQTB-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)3(2methoxyphenyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)3(2methoxyphenyl)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
3(13benzodioxol5ylmethylsulfanyl)2(2methoxyphenyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCC6
InChI=1SC24H20N2O4S2c12817732616(17)2623(27)211554820(15)3222(21)2524(26)3112149101819(1114)30132918h2367911H4581213H21H3
MFCD02239565
ZINC000001123667
ZINC01123667
ZINC1123667
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