Vitas-M small molecule compound
2-amino-1-(5-chloro-2-methylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784888
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1cc(Cl)ccc1C
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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 C23H21ClN4O3S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S/c1-12-4-5-13(24)8-15(12)27-16-9-23(2,3)10-17(29)21(16)20(14(11-25)22(27)26)18-6-7-19(32-18)28(30)31/h4-8,20H,9-10,26H2,1-3H3InChIKey
JZTHHHMCEVAGPF-UHFFFAOYSA-NSynonyms
2amino1(5chloro2methylphenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5CHLORO2METHYLPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC23H21ClN4O3Sc1124513(24)815(12)2716923(23)1017(29)21(16)20(14(1125)22(27)26)186719(3218)28(30)31h4820H91026H213H3
MFCD07657266
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1cc(Cl)ccc1C
ZINC000012462354
ZINC000012462355
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