Vitas-M small molecule compound
7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781179
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1sccc1C)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])C
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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 C28H26N4O3S MW 498.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S/c1-17-7-8-20(21(13-17)32(34)35)31-22-14-28(3,4)15-23(33)25(22)24(26-18(2)9-12-36-26)19(16-29)27(31)30-10-5-6-11-30/h5-13,24H,14-15H2,1-4H3InChIKey
HEXAHUBAMAZEHT-UHFFFAOYSA-NSynonyms
77dimethyl1(4methyl2nitrophenyl)4(3methylthiophen2yl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
77DIMETHYL1(4METHYL2NITROPHENYL)4(3METHYLTHIOPHEN2YL)5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=C(C=CS5)C)C(=O)CC(C3)(C)C)(N+)(=O)(O)
InChI=1SC28H26N4O3Sc1177820(21(1317)32(34)35)31221428(34)1523(33)25(22)24(2618(2)9123626)19(1629)27(31)3010561130h51324H1415H214H3
MFCD06014446
N#CC1=C(n2cccc2)N(C2=C(C1c1sccc1C)C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447341
ZINC000012447343
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