Vitas-M small molecule compound
2-amino-1-(2-nitrophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761764
SMILES N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C1c1ccsc1)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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c21-10-13-18(12-8-9-28-11-12)19-16(6-3-7-17(19)25)23(20(13)22)14-4-1-2-5-15(14)24(26)27/h1-2,4-5,8-9,11,18H,3,6-7,22H2InChIKey
JRQZMKYTKIVKIU-UHFFFAOYSA-NSynonyms
2amino1(2nitrophenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(2nitrophenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3(N+)(=O)(O))N)C#N)C4=CSC=C4)C(=O)C1
InChI=1SC20H16N4O3Sc21101318(1289281112)1916(63717(19)25)23(20(13)22)14412515(14)24(26)27h1245891118H36722H2
MFCD01871034
N#CC1=C(N)N(c2ccccc2(N+)(=O)(O))C2=C(C1c1ccsc1)C(=O)CCC2
ZINC000004182366
ZINC000004182368
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