Vitas-M small molecule compound

2-amino-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK959565
SMILES N#CC1=C(N)N(C2=C(C1c1cnn(c1)C)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 C22H21ClN6O3 MW 452.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN6O3/c1-22(2)7-17-20(18(30)8-22)19(12-10-26-27(3)11-12)14(9-24)21(25)28(17)15-5-4-13(23)6-16(15)29(31)32/h4-6,10-11,19H,7-8,25H2,1-3H3
InChIKey
ZCSLCIUSHMPUDC-UHFFFAOYSA-N
Synonyms
514817-11-9
2amino1(4chloro2nitrophenyl)77dimethyl4(1methyl1Hpyrazol4yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLORO2NITROPHENYL)77DIMETHYL4(1METHYLPYRAZOL4YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
514817119
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Cl)(N+)(=O)(O))N)C#N)C4=CN(N=C4)C)C(=O)C1)C
InChI=1SC22H21ClN6O3c122(2)71720(18(30)822)19(12102627(3)1112)14(924)21(25)28(17)155413(23)616(15)29(31)32h46101119H7825H213H3
MFCD02606010
N#CC1=C(N)N(C2=C(C1c1cnn(c1)C)C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))Cl
ZINC000008456202
ZINC000008456203

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Available files

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