Vitas-M small molecule compound
methyl 5-(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL548559
SMILES COC(=O)c1cn(cc2c1n[nH]c2=O)c1ccc2c(c1)C(=O)N1CCCC1C(=N2)O
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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 C20H17N5O5 MW 407.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5/c1-30-20(29)13-9-24(8-12-16(13)22-23-17(12)26)10-4-5-14-11(7-10)19(28)25-6-2-3-15(25)18(27)21-14/h4-5,7-9,15H,2-3,6H2,1H3,(H,21,27)(H,23,26)InChIKey
NONQODDVDMZAAE-UHFFFAOYSA-NSynonyms
122170119
InChI=1SC20H17N5O5c13020(29)13924(81216(13)222317(12)26)10451411(710)19(28)2562315(25)18(27)2114h457915H236H21H3(H2127)(H2326)
methyl5(11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)3oxo35dihydro2Hpyrazolo(43c)pyridine7carboxylate
methyl5(611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)3oxo2~(H)pyrazolo(43c)pyridine7carboxylate
MFCD31756777
ZINC000253410664
ZINC000409414084
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