Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753840
SMILES N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-25(2)11-18-23(19(29)12-25)22(15-8-9-20-21(10-15)31-14-30-20)17(13-26)24(27)28(18)16-6-4-3-5-7-16/h3-10,22H,11-12,14,27H2,1-2H3InChIKey
NHGAUEBDSAQESK-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)77dimethyl5oxo1phenyl145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)77DIMETHYL5OXO1PHENYL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC25H23N3O3c125(2)111823(19(29)1225)22(15892021(1015)31143020)17(1326)24(27)28(18)166435716h31022H11121427H212H3
MFCD00824699
ZINC000000713313
ZINC000000713314
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