Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757820
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)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 C29H30N4O2S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S/c1-4-35-18-11-9-17(10-12-18)25-21(16-31)27(32)33(22-13-29(2,3)14-23(34)26(22)25)28-20(15-30)19-7-5-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3InChIKey
DKNGUFRGOWEHED-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4ethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4ethoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCC5)C#N)N)C#N
InChI=1SC29H30N4O2Sc14351811917(101218)2521(1631)27(32)33(221329(23)1423(34)26(22)25)2820(1530)19756824(19)3628h91225H48131432H213H3
MFCD01305078
ZINC000002573757
ZINC000003666034
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