Vitas-M small molecule compound
2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(2,4,6-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK316241
SMILES COc1cc(OC)c(c(c1)OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1Cl)[N+](=O)[O-])C#N
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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 C27H27ClN4O6 MW 538.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O6/c1-27(2)11-19-24(20(33)12-27)23(25-21(37-4)9-15(36-3)10-22(25)38-5)16(13-29)26(30)31(19)18-7-6-14(32(34)35)8-17(18)28/h6-10,23H,11-12,30H2,1-5H3InChIKey
GTBCOQQIQWYGCY-UHFFFAOYSA-NSynonyms
514838-48-32amino1(2chloro4nitrophenyl)77dimethyl5oxo4(246trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLORO4NITROPHENYL)77DIMETHYL5OXO4(246TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
514838483
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)(N+)(=O)(O))Cl)N)C#N)C4=C(C=C(C=C4OC)OC)OC)C(=O)C1)C
COc1cc(OC)c(c(c1)OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1Cl)(N+)(=O)(O))C#N
InChI=1SC27H27ClN4O6c127(2)111924(20(33)1227)23(2521(374)915(363)1022(25)385)16(1329)26(30)31(19)187614(32(34)35)817(18)28h61023H111230H215H3
MFCD03757645
ZINC000008456017
ZINC000008456018
Check stock
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Check stock on Vitas-MAvailable files
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