Vitas-M small molecule compound
cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368879
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)OC1CCCCC1
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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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-15-21(24(29)32-18-7-5-4-6-8-18)22(16-9-11-17(12-10-16)27(30)31)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26H,4-8,13-14H2,1-3H3InChIKey
SWWVFYHSSOWZMF-UHFFFAOYSA-NSynonyms
313967-18-9313967189
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl277trimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl277trimethyl4(4nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H30N2O5c11521(24(29)32187546818)22(1691117(121016)27(30)31)2319(2615)1325(23)1420(23)28h912182226H481314H213H3
MFCD00330996
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OC1CCCCC1
ZINC000019314561
ZINC000019314564
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