Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754600
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-25(2,3)21-11-10-20(34-21)22-17(14-27)24(28)29(15-6-8-16(9-7-15)30(32)33)18-12-26(4,5)13-19(31)23(18)22/h6-11,22H,12-13,28H2,1-5H3InChIKey
DDFGSFDZPRDVBI-UHFFFAOYSA-NSynonyms
311320-48-62amino4(5tertbutylthiophen2yl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311320486
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC26H28N4O3Sc125(23)21111020(3421)2217(1427)24(28)29(156816(9715)30(32)33)181226(45)1319(31)23(18)22h61122H121328H215H3
MFCD00826184
N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000008442700
ZINC000008442701
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