Vitas-M small molecule compound
2-amino-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959956
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])Cl
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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 C24H20ClN5O5 MW 493.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN5O5/c1-24(2)10-19-22(20(31)11-24)21(14-5-3-4-6-16(14)29(32)33)15(12-26)23(27)28(19)17-8-7-13(25)9-18(17)30(34)35/h3-9,21H,10-11,27H2,1-2H3InChIKey
HLDMLXIATZSSPR-UHFFFAOYSA-NSynonyms
444931-92-42amino1(4chloro2nitrophenyl)77dimethyl4(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLORO2NITROPHENYL)77DIMETHYL4(2NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444931924
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Cl)(N+)(=O)(O))N)C#N)C4=CC=CC=C4(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H20ClN5O5c124(2)101922(20(31)1124)21(14534616(14)29(32)33)15(1226)23(27)28(19)178713(25)918(17)30(34)35h3921H101127H212H3
MFCD02606726
N#CC1=C(N)N(C2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))Cl
ZINC000013882203
ZINC000013882204
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