Vitas-M small molecule compound
2-[(9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
Catalog ID
STK549971
SMILES N#CC1C(=O)NC(=C(C21CCC(CC2)C(C)(C)C)C#N)SCC(=O)Nc1ccccc1CC
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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 C26H32N4O2S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2S/c1-5-17-8-6-7-9-21(17)29-22(31)16-33-24-20(15-28)26(19(14-27)23(32)30-24)12-10-18(11-13-26)25(2,3)4/h6-9,18-19H,5,10-13,16H2,1-4H3,(H,29,31)(H,30,32)InChIKey
JTSOLGPONJXZPA-UHFFFAOYSA-NSynonyms
1022363-31-01022363310
2((3TERTBUTYL711DICYANO8OXO9AZASPIRO(55)UNDEC10EN10YL)SULFANYL)N(2ETHYLPHENYL)ACETAMIDE
2((9(tertbutyl)15dicyano4oxo3azaspiro(55)undec1en2yl)thio)N(2ethylphenyl)acetamide
2((9tertbutyl15dicyano2oxo3azaspiro(55)undec4en4yl)sulfanyl)N(2ethylphenyl)acetamide
2((9tertbutyl15dicyano4oxo3azaspiro(55)undec1en2yl)sulfanyl)N(2ethylphenyl)acetamide
CCC1=CC=CC=C1NC(=O)CSC2=C(C3(CCC(CC3)C(C)(C)C)C(C(=O)N2)C#N)C#N
InChI=1SC26H32N4O2Sc1517867921(17)2922(31)16332420(1528)26(19(1427)23(32)3024)121018(111326)25(23)4h691819H5101316H214H3(H2931)(H3032)
MFCD03671721
ZINC000009108933
ZINC000009108934
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