Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363672
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C)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 C25H28N2O8 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O8/c1-13-21(24(29)33-11-14-5-4-6-32-14)22(23-16(26-13)9-25(2,3)10-18(23)28)15-7-19-20(35-12-34-19)8-17(15)27(30)31/h7-8,14,22,26H,4-6,9-12H2,1-3H3InChIKey
GKJAAXSCIOUHHG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC5CCCO5
InChI=1SC25H28N2O8c11321(24(29)3311145463214)22(2316(2613)925(23)1018(23)28)1571920(35123419)817(15)27(30)31h78142226H46912H213H3
MFCD01528064
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
ZINC000019830739
ZINC000019830742
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