Vitas-M small molecule compound
ethyl 4-[({[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL103828
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1CC(C)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/c1-5-30-21(29)15-6-8-16(9-7-15)24-18(27)12-31-22-25-17-10-14(4)23-19(17)20(28)26(22)11-13(2)3/h6-10,13,23H,5,11-12H2,1-4H3,(H,24,27)InChIKey
ZDZDEMONVDWPCZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC(C)C)NC(=C3)C
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C
ethyl4((((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC22H26N4O4Sc153021(29)156816(9715)2418(27)12312225171014(4)2319(17)20(28)26(22)1113(2)3h6101323H51112H214H3(H2427)
MFCD20735430
ZINC000067237634
ZINC67237634
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