Vitas-M small molecule compound
cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402895
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)OC1CCCCCC1
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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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-15-21(24(28)31-18-7-4-2-3-5-8-18)22(16-11-13-17(14-12-16)26(29)30)23-19(25-15)9-6-10-20(23)27/h11-14,18,22,25H,2-10H2,1H3InChIKey
GRRVCBZWPAXGMS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC4CCCCCC4
cycloheptyl2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cycloheptyl2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H28N2O5c11521(24(28)311874235818)22(16111317(141216)26(29)30)2319(2515)961020(23)27h1114182225H210H21H3
MFCD03370935
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)OC1CCCCCC1
ZINC000001438535
ZINC000001438536
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