Vitas-M small molecule compound
ethyl 4-({[(3-ethyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)piperidine-1-carboxylate
Catalog ID
STL084471
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1CC)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 C19H27N5O4S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N5O4S/c1-4-24-17(26)16-14(10-12(3)20-16)22-18(24)29-11-15(25)21-13-6-8-23(9-7-13)19(27)28-5-2/h10,13,20H,4-9,11H2,1-3H3,(H,21,25)InChIKey
PKWKCEIPOJAEQX-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3CCN(CC3)C(=O)OCC
CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1CC)C
ethyl4((((3ethyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((3ethyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC19H27N5O4Sc142417(26)1614(1012(3)2016)2218(24)291115(25)21136823(9713)19(27)2852h101320H4911H213H3(H2125)
MFCD18203041
ZINC000057522118
ZINC57522118
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