Vitas-M small molecule compound
3-benzyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404503
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2)C)C(=O)OCc1ccccc1
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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 C27H26N2O7 MW 490.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7/c1-15-12-20-24(25(30)21(15)26(31)35-3)23(18-10-7-11-19(13-18)29(33)34)22(16(2)28-20)27(32)36-14-17-8-5-4-6-9-17/h4-11,13,15,21,23,28H,12,14H2,1-3H3InChIKey
CFDURMWOGXLHBU-UHFFFAOYSA-NSynonyms
3benzyl6methyl27dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Obenzyl6Omethyl27dimethyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)(N+)(=O)(O))C(=C(N2)C)C(=O)OCc1ccccc1
InChI=1SC27H26N2O7c115122024(25(30)21(15)26(31)353)23(181071119(1318)29(33)34)22(16(2)2820)27(32)3614178546917h4111315212328H1214H213H3
MFCD04220681
ZINC000020385543
ZINC000239030671
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