Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757814
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
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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 C28H26N4O3S MW 498.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S/c1-28(2)10-19-25(20(33)11-28)24(15-7-8-21-22(9-15)35-14-34-21)18(13-30)26(31)32(19)27-17(12-29)16-5-3-4-6-23(16)36-27/h7-9,24H,3-6,10-11,14,31H2,1-2H3InChIKey
FNGMXCDGEMTQMA-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC28H26N4O3Sc128(2)101925(20(33)1128)24(15782122(915)35143421)18(1330)26(31)32(19)2717(1229)16534623(16)3627h7924H3610111431H212H3
MFCD01305072
ZINC000000706240
ZINC000000706241
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