Vitas-M small molecule compound
2-amino-1-(3-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784890
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1cccc(c1)[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 C20H15N5O5S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O5S/c21-10-13-18(16-7-8-17(31-16)25(29)30)19-14(5-2-6-15(19)26)23(20(13)22)11-3-1-4-12(9-11)24(27)28/h1,3-4,7-9,18H,2,5-6,22H2InChIKey
YNNFVGZMFARDLJ-UHFFFAOYSA-NSynonyms
2amino1(3nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3nitrophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC20H15N5O5Sc21101318(167817(3116)25(29)30)1914(52615(19)26)23(20(13)22)1131412(911)24(27)28h1347918H25622H2
MFCD07657269
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000012428894
ZINC000012428895
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