Vitas-M small molecule compound
ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758241
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccccc1)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-2-33-27(32)23-17-11-6-7-14-21(17)34-26(23)30-19-12-8-13-20(31)24(19)22(18(15-28)25(30)29)16-9-4-3-5-10-16/h3-5,9-10,22H,2,6-8,11-14,29H2,1H3InChIKey
JFPGROSIDROIHD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CCC4
ethyl2(2amino3cyano5oxo4phenyl4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano5oxo4phenyl5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H27N3O3Sc123327(32)231711671421(17)3426(23)30191281320(31)24(19)22(18(1528)25(30)29)1694351016h3591022H268111429H21H3
MFCD01414957
ZINC000000714762
ZINC000000714763
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