Vitas-M small molecule compound
methyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406881
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)N(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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-15-23(26(31)34-4)24(17-6-5-7-20(12-17)29(32)33)25-21(27-15)13-18(14-22(25)30)16-8-10-19(11-9-16)28(2)3/h5-12,18,24,27H,13-14H2,1-4H3InChIKey
IPYMLTPPPDRICG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)N(C)C
InChI=1SC26H27N3O5c11523(26(31)344)24(1765720(1217)29(32)33)2521(2715)1318(1422(25)30)1681019(11916)28(2)3h512182427H1314H214H3
methyl7(4(dimethylamino)phenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4(dimethylamino)phenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06000562
ZINC000002868545
ZINC000002868548
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