Vitas-M small molecule compound
ethyl 4-[({[6-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]piperidine-1-carboxylate
Catalog ID
STL093879
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)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 C24H29N5O4S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O4S/c1-4-33-24(32)28-11-9-17(10-12-28)26-20(30)14-34-23-27-19-13-16(3)25-21(19)22(31)29(23)18-7-5-15(2)6-8-18/h5-8,13,17,25H,4,9-12,14H2,1-3H3,(H,26,30)InChIKey
IJLXWMSDNZQVAX-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)C)C
CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC(=C3)C
ethyl4((((6methyl3(4methylphenyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((6methyl3(4methylphenyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC24H29N5O4Sc143324(32)2811917(101228)2620(30)14342327191316(3)2521(19)22(31)29(23)187515(2)6818h58131725H491214H213H3(H2630)
MFCD18788013
ZINC000067239437
ZINC67239437
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