Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL391777
SMILES N#CC1=C(N)N(C2=C(C1c1cnn(c1)C)C(=O)CC(C2)(C)C)c1ccc(cc1)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 C22H22ClN5O MW 407.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O/c1-22(2)8-17-20(18(29)9-22)19(13-11-26-27(3)12-13)16(10-24)21(25)28(17)15-6-4-14(23)5-7-15/h4-7,11-12,19H,8-9,25H2,1-3H3InChIKey
NDUCRURIETYJAX-UHFFFAOYSA-NSynonyms
515829-68-22amino1(4chlorophenyl)77dimethyl4(1methyl1Hpyrazol4yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLOROPHENYL)77DIMETHYL4(1METHYLPYRAZOL4YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
515829682
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CN(N=C4)C)C(=O)C1)C
InChI=1SC22H22ClN5Oc122(2)81720(18(29)922)19(13112627(3)1213)16(1024)21(25)28(17)156414(23)5715h47111219H8925H213H3
MFCD03758748
ZINC000002764801
ZINC000002764802
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