Vitas-M small molecule compound
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754184
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-]
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-22(2)9-17-20(18(27)10-22)19(13-6-7-30-12-13)16(11-23)21(24)25(17)14-4-3-5-15(8-14)26(28)29/h3-8,12,19H,9-10,24H2,1-2H3InChIKey
JKVUNMHHWSKBKF-UHFFFAOYSA-NSynonyms
311334-37-92amino77dimethyl1(3nitrophenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(3NITROPHENYL)5OXO4THIOPHEN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
311334379
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CSC=C4)C(=O)C1)C
InChI=1SC22H20N4O3Sc122(2)91720(18(27)1022)19(1367301213)16(1123)21(24)25(17)1443515(814)26(28)29h381219H91024H212H3
MFCD00825265
N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000001056592
ZINC000001056594
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