Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059890
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2)OCC1CCCO1
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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 C23H24N2O8 MW 456.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O8/c1-12-20(23(27)31-10-13-4-3-7-30-13)21(22-15(24-12)5-2-6-17(22)26)14-8-18-19(33-11-32-18)9-16(14)25(28)29/h8-9,13,21,24H,2-7,10-11H2,1H3InChIKey
XHPWSQRIWHAMLP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC5CCCO5
InChI=1SC23H24N2O8c11220(23(27)3110134373013)21(2215(2412)52617(22)26)1481819(33113218)916(14)25(28)29h89132124H271011H21H3
MFCD01445716
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK059890
tetrahydrofuran2ylmethyl2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
ZINC000001082012
ZINC000001082015
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