Vitas-M small molecule compound

2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755471
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cc(OC)c(c(c1)OC)OC)N

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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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-28(2)13-20-25(21(32)14-28)24(16-11-22(34-4)26(36-6)23(12-16)35-5)19(15-29)27(30)31(20)17-7-9-18(33-3)10-8-17/h7-12,24H,13-14,30H2,1-6H3
InChIKey
MCZFIMVTYWQJHQ-UHFFFAOYSA-N
Synonyms

2amino1(4methoxyphenyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(4METHOXYPHENYL)77DIMETHYL5OXO4(345TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC28H31N3O5c128(2)132025(21(32)1428)24(161122(344)26(366)23(1216)355)19(1529)27(30)31(20)177918(333)10817h71224H131430H216H3
MFCD00828146
ZINC000000713590
ZINC000000713591

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Available files

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