Vitas-M small molecule compound
2-{[(2Z)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL023012
SMILES N#C/C(=C/c1ccc(cc1)C(C)(C)C)/C(=O)Nc1sc2c(c1C(=O)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 C23H25N3O2S MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O2S/c1-23(2,3)16-10-8-14(9-11-16)12-15(13-24)21(28)26-22-19(20(25)27)17-6-4-5-7-18(17)29-22/h8-12H,4-7H2,1-3H3,(H2,25,27)(H,26,28)/b15-12-InChIKey
ZRHUVZLGCKLOLK-QINSGFPZSA-NSynonyms
2(((2Z)3(4tertbutylphenyl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((Z)3(4tertbutylphenyl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI=1SC23H25N3O2Sc123(23)1610814(91116)1215(1324)21(28)262219(20(25)27)17645718(17)2922h812H47H213H3(H22527)(H2628)b1512
MFCD09760261
N#CC(=Cc1ccc(cc1)C(C)(C)C)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000016661300
ZINC16661300
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