Vitas-M small molecule compound
methyl 2-({[(4-oxo-3-propyl-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL085135
SMILES CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c(c1=O)oc1c2cccc1
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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 C23H21N3O5S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S/c1-3-12-26-21(28)20-19(15-9-5-7-11-17(15)31-20)25-23(26)32-13-18(27)24-16-10-6-4-8-14(16)22(29)30-2/h4-11H,3,12-13H2,1-2H3,(H,24,27)InChIKey
HTLHKFQJBUALFO-UHFFFAOYSA-NSynonyms
CCCN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC23H21N3O5Sc13122621(28)2019(159571117(15)3120)2523(26)321318(27)24161064814(16)22(29)302h411H31213H212H3(H2427)
methyl2((((4oxo3propyl34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((4oxo3propyl(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
MFCD18203349
ZINC000057523184
ZINC57523184
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