Vitas-M small molecule compound

2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK231422
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)OC)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 C29H28ClN5O2 MW 514.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O2/c1-16-24(17-5-9-19(30)10-6-17)28(34-33-16)35-22-13-29(2,3)14-23(36)26(22)25(21(15-31)27(35)32)18-7-11-20(37-4)12-8-18/h5-12,25H,13-14,32H2,1-4H3,(H,33,34)
InChIKey
YYWZVPBVXDIOHI-UHFFFAOYSA-N
Synonyms

2amino1(4(4chlorophenyl)3methyl1Hpyrazol5yl)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(4(4chlorophenyl)5methyl1Hpyrazol3yl)4(4methoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1=C(C(=NN1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CC(C3)(C)C)C5=CC=C(C=C5)Cl
InChI=1SC29H28ClN5O2c11624(175919(30)10617)28(343316)35221329(23)1423(36)26(22)25(21(1531)27(35)32)1871120(374)12818h51225H131432H214H3(H3334)
MFCD06755165
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C)c1(nH)nc(c1c1ccc(cc1)Cl)C
ZINC000009290271
ZINC000009290272

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Available files

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