Vitas-M small molecule compound

2-amino-1-(3-chloro-4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK785013
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)C)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2

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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 C21H17ClN4O3S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3S/c1-11-5-6-12(9-14(11)22)25-15-3-2-4-16(27)20(15)19(13(10-23)21(25)24)17-7-8-18(30-17)26(28)29/h5-9,19H,2-4,24H2,1H3
InChIKey
MFOSGOAVTJTVAE-UHFFFAOYSA-N
Synonyms

2amino1(3chloro4methylphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro4methylphenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3)Cl
InChI=1SC21H17ClN4O3Sc1115612(914(11)22)251532416(27)20(15)19(13(1023)21(25)24)177818(3017)26(28)29h5919H2424H21H3
MFCD07657592
N#CC1=C(N)N(c2ccc(c(c2)Cl)C)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2
ZINC000012462310
ZINC000012462311

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Available files

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