Vitas-M small molecule compound
2-{[5-(4-methoxyphenyl)-3-oxocyclohex-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK682736
SMILES COc1ccc(cc1)C1CC(=O)C=C(C1)Nc1sc2c(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 C22H22N2O2S MW 378.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O2S/c1-26-18-8-6-14(7-9-18)15-10-16(12-17(25)11-15)24-22-20(13-23)19-4-2-3-5-21(19)27-22/h6-9,12,15,24H,2-5,10-11H2,1H3InChIKey
BQFVHBQPLUMAHS-UHFFFAOYSA-NSynonyms
2((5(4methoxyphenyl)3oxocyclohex1en1yl)amino)4567tetrahydro1benzothiophene3carbonitrile
2((5(4methoxyphenyl)3oxocyclohexen1yl)amino)4567tetrahydro1benzothiophene3carbonitrile
COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC22H22N2O2Sc126188614(7918)151016(1217(25)1115)242220(1323)19423521(19)2722h69121524H251011H21H3
MFCD04060633
ZINC000100151123
ZINC000100151129
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