Vitas-M small molecule compound
ethyl 1-({[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Catalog ID
STL093330
SMILES CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)C
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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 C22H26N4O5S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S/c1-3-30-21(29)15-6-8-25(9-7-15)18(27)13-32-22-24-17-11-14(2)23-19(17)20(28)26(22)12-16-5-4-10-31-16/h4-5,10-11,15,23H,3,6-9,12-13H2,1-2H3InChIKey
KANVZBFXBLJQFJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)NC(=C3)C
ethyl1(((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
ethyl1(2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
InChI=1SC22H26N4O5Sc133021(29)156825(9715)18(27)13322224171114(2)2319(17)20(28)26(22)121654103116h4510111523H3691213H212H3
MFCD18787464
ZINC000067236499
ZINC67236499
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