Vitas-M small molecule compound
ethyl 4-[({[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL093755
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1C(CC)C)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-5-14(4)26-20(28)19-17(11-13(3)23-19)25-22(26)31-12-18(27)24-16-9-7-15(8-10-16)21(29)30-6-2/h7-11,14,23H,5-6,12H2,1-4H3,(H,24,27)InChIKey
DSBJACXGHKWMIS-UHFFFAOYSA-NSynonyms
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1C(CC)C)C
ethyl4((((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC22H26N4O4Sc1514(4)2620(28)1917(1113(3)2319)2522(26)311218(27)24169715(81016)21(29)3062h7111423H5612H214H3(H2427)
MFCD18787889
ZINC000067238704
ZINC000067238709
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