Vitas-M small molecule compound
2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783995
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1scc(c1)Cn1ncnc1)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 C23H19N7O3S MW 473.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N7O3S/c24-9-17-21(20-7-14(11-34-20)10-28-13-26-12-27-28)22-18(5-2-6-19(22)31)29(23(17)25)15-3-1-4-16(8-15)30(32)33/h1,3-4,7-8,11-13,21H,2,5-6,10,25H2InChIKey
DPGLTDZASALBHL-UHFFFAOYSA-NSynonyms
2amino1(3nitrophenyl)5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydroquinoline3carbonitrile
2amino1(3nitrophenyl)5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)C1
InChI=1SC23H19N7O3Sc2491721(20714(113420)10281326122728)2218(52619(22)31)29(23(17)25)1531416(815)30(32)33h13478111321H2561025H2
MFCD06619314
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CCC2
ZINC000012428892
ZINC000012428893
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