Vitas-M small molecule compound
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886156
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-27(2)12-21-25(22(31)13-27)24(17-5-4-6-18(11-17)30(33)34)20(14-28)26(29-21)36-15-23(32)16-7-9-19(35-3)10-8-16/h4-11,24,29H,12-13,15H2,1-3H3InChIKey
FESVDUVCZYXFJG-UHFFFAOYSA-NSynonyms
2((2(4methoxyphenyl)2oxoethyl)sulfanyl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2(2(4methoxyphenyl)2oxoethyl)sulfanyl77dimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)OC)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H25N3O5Sc127(2)122125(22(31)1327)24(1754618(1117)30(33)34)20(1428)26(2921)361523(32)167919(353)10816h4112429H121315H213H3
MFCD18172033
N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000035682047
ZINC000035682048
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