Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK674553
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cccc(c1)[N+](=O)[O-])N
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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 C28H28N4O5S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S/c1-2-37-28(34)24-18-10-4-3-5-13-22(18)38-27(24)31-20-11-7-12-21(33)25(20)23(19(15-29)26(31)30)16-8-6-9-17(14-16)32(35)36/h6,8-9,14,23H,2-5,7,10-13,30H2,1H3InChIKey
LNLXVHLCLARPAD-UHFFFAOYSA-NSynonyms
312315-97-2312315972
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)CCC4
CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cccc(c1)(N+)(=O)(O))N
ethyl2(2amino3cyano4(3nitrophenyl)5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano4(3nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC28H28N4O5Sc123728(34)2418104351322(18)3827(24)31201171221(33)25(20)23(19(1529)26(31)30)1686917(1416)32(35)36h6891423H257101330H21H3
MFCD01465175
ZINC000002380244
ZINC000003666736
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