Vitas-M small molecule compound
ethyl 4-({[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK854892
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(N)c2c(n1)sc1c2CCC1
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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 C20H20N4O3S2 MW 428.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S2/c1-2-27-19(26)11-6-8-12(9-7-11)22-15(25)10-28-20-23-17(21)16-13-4-3-5-14(13)29-18(16)24-20/h6-9H,2-5,10H2,1H3,(H,22,25)(H2,21,23,24)InChIKey
PLKGQACHSRMYDT-UHFFFAOYSA-NSynonyms
497082-11-8497082118
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C4=C(CCC4)SC3=N2)N
ethyl4((((4amino67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((1amino78dihydro6Hcyclopenta(45)thieno(12c)pyrimidin3yl)sulfanyl)acetyl)amino)benzoate
ethyl4(2((4amino67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
InChI=1SC20H20N4O3S2c122719(26)116812(9711)2215(25)1028202317(21)161343514(13)2918(16)2420h69H2510H21H3(H2225)(H2212324)
MFCD03687661
ZINC000002249901
ZINC02249901
ZINC2249901
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