Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783909
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-29-13-7-5-12(6-8-13)24-15-3-2-4-16(26)20(15)19(14(11-22)21(24)23)17-9-10-18(30-17)25(27)28/h5-10,19H,2-4,23H2,1H3InChIKey
IWGAZXJEMODWPC-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4methoxyphenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3
InChI=1SC21H18N4O4Sc129137512(6813)241532416(26)20(15)19(14(1122)21(24)23)1791018(3017)25(27)28h51019H2423H21H3
MFCD06619180
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1)OC
ZINC000012420861
ZINC000012420863
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