Vitas-M small molecule compound
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-1-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK233612
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C)c1[nH]nc(c1c1ccccc1)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 C29H29N5O2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2/c1-17-24(18-8-6-5-7-9-18)28(33-32-17)34-22-14-29(2,3)15-23(35)26(22)25(21(16-30)27(34)31)19-10-12-20(36-4)13-11-19/h5-13,25H,14-15,31H2,1-4H3,(H,32,33)InChIKey
FFDKPBXWDNPAJV-UHFFFAOYSA-NSynonyms
2amino4(4methoxyphenyl)77dimethyl1(3methyl4phenyl1Hpyrazol5yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXYPHENYL)77DIMETHYL1(5METHYL4PHENYL1HPYRAZOL3YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
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=CC=C5
InChI=1SC29H29N5O2c11724(188657918)28(333217)34221429(23)1523(35)26(22)25(21(1630)27(34)31)19101220(364)131119h51325H141531H214H3(H3233)
MFCD06755062
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C)c1(nH)nc(c1c1ccccc1)C
ZINC000009290384
ZINC000009290385
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