Vitas-M small molecule compound
cyclopentyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372410
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2)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 C23H24N2O7 MW 440.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O7/c1-12-20(23(27)32-13-5-2-3-6-13)21(22-15(24-12)7-4-8-17(22)26)14-9-18-19(31-11-30-18)10-16(14)25(28)29/h9-10,13,21,24H,2-8,11H2,1H3InChIKey
CTFLKYDGUBRDOA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC5CCCC5
cyclopentyl2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H24N2O7c11220(23(27)3213523613)21(2215(2412)74817(22)26)1491819(31113018)1016(14)25(28)29h910132124H2811H21H3
MFCD00771157
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2)OC1CCCC1
ZINC000019731667
ZINC000019731669
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