Vitas-M small molecule compound
2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STL079628
SMILES O=C(NCc1ccccc1)CSc1nc2sc(c(c2c(=O)[nH]1)C)C(=O)[O-]
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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 C17H14N3O4S2 MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S2/c1-9-12-14(22)19-17(20-15(12)26-13(9)16(23)24)25-8-11(21)18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,21)(H,23,24)(H,19,20,22)/p-1InChIKey
YUYKJFDOWSSDTQ-UHFFFAOYSA-MSynonyms
2((2(benzylamino)2oxoethyl)sulfanyl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
2(2(BENZYLAMINO)2OXOETHYL)SULFANYL5METHYL4OXO3HTHIENO(23D)PYRIMIDINE6CARBOXYLATE
5METHYL4OXO2((NBENZYLCARBAMOYL)METHYLTHIO)3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLICACID
CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CC=C3)C(=O)(O)
InChI=1SC17H15N3O4S2c191214(22)1917(2015(12)2613(9)16(23)24)25811(21)187105324610h26H78H21H3(H1821)(H2324)(H192022)p1
O=C(NCc1ccccc1)CSc1nc2sc(c(c2c(=O)(nH)1)C)C(=O)(O)
ZINC000004170395
ZINC04170395
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