Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757537
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-27(2)12-20-24(21(32)13-27)23(16-8-4-3-5-9-16)19(15-29)25(30)31(20)26-18(14-28)17-10-6-7-11-22(17)33-26/h3-5,8-9,23H,6-7,10-13,30H2,1-2H3InChIKey
CCUBNZBODKCXQE-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4phenyl145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4phenyl68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC27H26N4OSc127(2)122024(21(32)1327)23(168435916)19(1529)25(30)31(20)2618(1428)1710671122(17)3326h358923H67101330H212H3
MFCD01306081
ZINC000002188768
ZINC000002188769
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