Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK759178
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCC2)C#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 C27H26N4O2S MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S/c1-2-33-17-12-10-16(11-13-17)24-20(15-29)26(30)31(21-7-5-8-22(32)25(21)24)27-19(14-28)18-6-3-4-9-23(18)34-27/h10-13,24H,2-9,30H2,1H3InChIKey
WDDHOAMFZRMENP-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4ethoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4ethoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)N)C#N
InChI=1SC27H26N4O2Sc123317121016(111317)2420(1529)26(30)31(2175822(32)25(21)24)2719(1428)18634923(18)3427h101324H2930H21H3
MFCD01460905
ZINC000001022997
ZINC000001022998
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