Vitas-M small molecule compound
cyclopentyl 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
STK371844
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C)OC1CCCC1
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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 C25H28N2O7 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O7/c1-13-21(24(29)34-14-6-4-5-7-14)22(23-16(26-13)10-25(2,3)11-18(23)28)15-8-19-20(33-12-32-19)9-17(15)27(30)31/h8-9,14,22,26H,4-7,10-12H2,1-3H3InChIKey
RZGHIGQLCLPRAO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC5CCCC5
cyclopentyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H28N2O7c11321(24(29)3414645714)22(2316(2613)1025(23)1118(23)28)1581920(33123219)917(15)27(30)31h89142226H471012H213H3
MFCD00619530
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C)OC1CCCC1
ZINC000019315121
ZINC000019315124
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