Vitas-M small molecule compound
ethyl 4-[({[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]piperidine-1-carboxylate
Catalog ID
STL103915
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)F)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 C23H26FN5O4S MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN5O4S/c1-3-33-23(32)28-10-8-16(9-11-28)26-19(30)13-34-22-27-18-12-14(2)25-20(18)21(31)29(22)17-6-4-15(24)5-7-17/h4-7,12,16,25H,3,8-11,13H2,1-2H3,(H,26,30)InChIKey
ALYXPOULQHGBAN-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C
CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC(=C3)C
ethyl4((((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC23H26FN5O4Sc133323(32)2810816(91128)2619(30)13342227181214(2)2520(18)21(31)29(22)176415(24)5717h47121625H381113H212H3(H2630)
MFCD20735517
ZINC000067239411
ZINC67239411
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