Vitas-M small molecule compound
[(2R,3S,4S)-4-[(2,4-dibromophenyl)amino]-2-ethyl-3-methyl-3,4-dihydroquinolin-1(2H)-yl](4-ethoxyphenyl)methanone
Catalog ID
STK077812
SMILES CCOc1ccc(cc1)C(=O)N1[C@H](CC)[C@@H](C)[C@@H](c2c1cccc2)Nc1ccc(cc1Br)Br
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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 C27H28Br2N2O2 MW 572.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28Br2N2O2/c1-4-24-17(3)26(30-23-15-12-19(28)16-22(23)29)21-8-6-7-9-25(21)31(24)27(32)18-10-13-20(14-11-18)33-5-2/h6-17,24,26,30H,4-5H2,1-3H3/t17-,24-,26+/m1/s1InChIKey
SFGSPHHRKQQTLL-OQRIRGNISA-NSynonyms
((2R3S4S)4((24DIBROMOPHENYL)AMINO)2ETHYL3METHYL34DIHYDROQUINOLIN1(2H)YL)(4ETHOXYPHENYL)METHANONE
((2R3S4S)4(24dibromoanilino)2ethyl3methyl34dihydro2Hquinolin1yl)(4ethoxyphenyl)methanone
CCC1C(C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OCC)NC4=C(C=C(C=C4)Br)Br)C
CCOc1ccc(cc1)C(=O)N1(C@H)(CC)(C@@H)(C)(C@@H)(c2c1cccc2)Nc1ccc(cc1Br)Br
InChI=1SC27H28Br2N2O2c142417(3)26(3023151219(28)1622(23)29)21867925(21)31(24)27(32)18101320(141118)3352h617242630H45H213H3t172426+m1s1
MFCD13368379
STK077812
ZINC000101478504
ZINC101478504
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