Vitas-M small molecule compound
2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783426
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1cc(ccc1Cl)[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 C20H14ClN5O5S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O5S/c21-12-5-4-10(25(28)29)8-14(12)24-13-2-1-3-15(27)19(13)18(11(9-22)20(24)23)16-6-7-17(32-16)26(30)31/h4-8,18H,1-3,23H2InChIKey
XZQAHBACGNSMOM-UHFFFAOYSA-NSynonyms
2amino1(2chloro5nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2chloro5nitrophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)(N+)(=O)(O))Cl)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC20H14ClN5O5Sc21125410(25(28)29)814(12)241321315(27)19(13)18(11(922)20(24)23)166717(3216)26(30)31h4818H1323H2
MFCD06618201
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1cc(ccc1Cl)(N+)(=O)(O)
ZINC000012428567
ZINC000012428568
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