Vitas-M small molecule compound
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK406115
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccccc1
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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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-14-21(25(32)28-16-8-6-5-7-9-16)22(23-17(27-14)12-26(2,3)13-19(23)30)15-10-18(29(33)34)24(31)20(11-15)35-4/h5-11,22,27,31H,12-13H2,1-4H3,(H,28,32)InChIKey
IDXCAPLAYWCKBN-UHFFFAOYSA-NSynonyms
4(4hydroxy3methoxy5nitrophenyl)277trimethyl5oxoNphenyl145678hexahydroquinoline3carboxamide
4(4hydroxy3methoxy5nitrophenyl)277trimethyl5oxoNphenyl1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)NC4=CC=CC=C4
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccccc1
InChI=1SC26H27N3O6c11421(25(32)28168657916)22(2317(2714)1226(23)1319(23)30)151018(29(33)34)24(31)20(1115)354h511222731H1213H214H3(H2832)
MFCD04216279
ZINC000016293986
ZINC000016293987
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