Vitas-M small molecule compound
2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK233666
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1[nH]nc(c1c1ccc(cc1)Cl)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 C28H26ClN5O MW 484.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O/c1-16-23(18-9-11-19(29)12-10-18)27(33-32-16)34-21-13-28(2,3)14-22(35)25(21)24(20(15-30)26(34)31)17-7-5-4-6-8-17/h4-12,24H,13-14,31H2,1-3H3,(H,32,33)InChIKey
RKDUAKFHWGPWJY-UHFFFAOYSA-NSynonyms
2amino1(4(4chlorophenyl)3methyl1Hpyrazol5yl)77dimethyl5oxo4phenyl145678hexahydroquinoline3carbonitrile
2amino1(4(4chlorophenyl)5methyl1Hpyrazol3yl)77dimethyl5oxo4phenyl68dihydro4Hquinoline3carbonitrile
CC1=C(C(=NN1)N2C3=C(C(C(=C2N)C#N)C4=CC=CC=C4)C(=O)CC(C3)(C)C)C5=CC=C(C=C5)Cl
InChI=1SC28H26ClN5Oc11623(1891119(29)121018)27(333216)34211328(23)1422(35)25(21)24(20(1530)26(34)31)177546817h41224H131431H213H3(H3233)
MFCD06755166
N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1(nH)nc(c1c1ccc(cc1)Cl)C
ZINC000009290387
ZINC000009290389
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