Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406503
SMILES CN(c1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)[N+](=O)[O-])C(=O)OCC1CCCO1)C)C
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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 C30H33N3O6 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O6/c1-18-27(30(35)39-17-24-5-4-14-38-24)28(20-8-12-23(13-9-20)33(36)37)29-25(31-18)15-21(16-26(29)34)19-6-10-22(11-7-19)32(2)3/h6-13,21,24,28,31H,4-5,14-17H2,1-3H3InChIKey
DVZBEQSKTKRFNI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC5CCCO5
CN(c1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)(N+)(=O)(O))C(=O)OCC1CCCO1)C)C
InChI=1SC30H33N3O6c11827(30(35)39172454143824)28(2081223(13920)33(36)37)2925(3118)1521(1626(29)34)1961022(11719)32(2)3h61321242831H451417H213H3
MFCD06000674
oxolan2ylmethyl7(4(dimethylamino)phenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(4(dimethylamino)phenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000020418921
ZINC000035824070
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