Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758240
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)[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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-2-36-27(33)23-17-6-3-4-9-21(17)37-26(23)30-19-7-5-8-20(32)24(19)22(18(14-28)25(30)29)15-10-12-16(13-11-15)31(34)35/h10-13,22H,2-9,29H2,1H3InChIKey
VGVAJAKTLCUYKS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CCC4
CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)(N+)(=O)(O))N
ethyl2(2amino3cyano4(4nitrophenyl)5oxo4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano4(4nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H26N4O5Sc123627(33)2317634921(17)3726(23)301975820(32)24(19)22(18(1428)25(30)29)15101216(131115)31(34)35h101322H2929H21H3
MFCD01414956
ZINC000002188786
ZINC000002188787
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