Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784949
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1)OC
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-23(2)10-16-21(17(28)11-23)20(18-8-9-19(32-18)27(29)30)15(12-24)22(25)26(16)13-4-6-14(31-3)7-5-13/h4-9,20H,10-11,25H2,1-3H3InChIKey
BWHQQJMKOIMYOA-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4METHOXYPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H22N4O4Sc123(2)101621(17(28)1123)20(188919(3218)27(29)30)15(1224)22(25)26(16)134614(313)7513h4920H101125H213H3
MFCD07657381
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1)OC
ZINC000012402311
ZINC000012402312
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