Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK686759
SMILES O=C(C1=C(N)N(c2ccccc2)C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)Nc1nccs1
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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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-27(2)14-19-22(20(33)15-27)21(16-7-6-10-18(13-16)32(35)36)23(25(34)30-26-29-11-12-37-26)24(28)31(19)17-8-4-3-5-9-17/h3-13,21H,14-15,28H2,1-2H3,(H,29,30,34)InChIKey
GMGVGFUCQYRUCF-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(3nitrophenyl)5oxo1phenylN(13thiazol2yl)145678hexahydroquinoline3carboxamide
2AMINO77DIMETHYL4(3NITROPHENYL)5OXO1PHENYLN(13THIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBOXAMIDE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C(=O)NC4=NC=CS4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H25N5O4Sc127(2)141922(20(33)1527)21(16761018(1316)32(35)36)23(25(34)30262911123726)24(28)31(19)178435917h31321H141528H212H3(H293034)
MFCD06017427
O=C(C1=C(N)N(c2ccccc2)C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)Nc1nccs1
ZINC000012402343
ZINC000012402344
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