Vitas-M small molecule compound
{[3-(2-methoxyphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK531218
SMILES COc1ccccc1n1c(SCC(=O)O)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 C18H16N2O4S2 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S2/c1-24-12-7-3-2-6-11(12)20-17(23)15-10-5-4-8-13(10)26-16(15)19-18(20)25-9-14(21)22/h2-3,6-7H,4-5,8-9H2,1H3,(H,21,22)InChIKey
PGDSVVUNJYSMBE-UHFFFAOYSA-NSynonyms
((3(2methoxyphenyl)4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((2(2methoxyphenyl)1oxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)aceticacid
2((3(2methoxyphenyl)4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)aceticacid
COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCC4
InChI=1SC18H16N2O4S2c12412732611(12)2017(23)151054813(10)2616(15)1918(20)25914(21)22h2367H4589H21H3(H2122)
MFCD02238712
ZINC000002296562
ZINC2296562
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