Vitas-M small molecule compound
1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781260
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C25H17F3N4O3S MW 510.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17F3N4O3S/c26-25(27,28)15-8-9-17(19(13-15)32(34)35)31-18-5-3-6-20(33)23(18)22(21-7-4-12-36-21)16(14-29)24(31)30-10-1-2-11-30/h1-2,4,7-13,22H,3,5-6H2InChIKey
KUZRSWJLSVBXKB-UHFFFAOYSA-NSynonyms
1(2nitro4(trifluoromethyl)phenyl)5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile
1(2nitro4(trifluoromethyl)phenyl)5oxo2pyrrol1yl4thiophen2yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))N4C=CC=C4)C#N)C5=CC=CS5)C(=O)C1
InChI=1SC25H17F3N4O3Sc2625(2728)158917(19(1315)32(34)35)311853620(33)23(18)22(2174123621)16(1429)24(31)3010121130h12471322H356H2
MFCD06014762
N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000012360551
ZINC000012360552
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