Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754555
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(s1)C(C)(C)C)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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-25(2,3)21-10-9-20(34-21)22-17(14-27)24(28)29(15-7-6-8-16(11-15)30(32)33)18-12-26(4,5)13-19(31)23(18)22/h6-11,22H,12-13,28H2,1-5H3InChIKey
LYZNQWGEJKVRRA-UHFFFAOYSA-NSynonyms
311318-21-52amino4(5tertbutylthiophen2yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311318215
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC26H28N4O3Sc125(23)2110920(3421)2217(1427)24(28)29(1576816(1115)30(32)33)181226(45)1319(31)23(18)22h61122H121328H215H3
MFCD00826098
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C
ZINC000001057076
ZINC000001057078
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