Vitas-M small molecule compound
ethyl 5-cyano-4-oxo-2-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1-carboxylate
Catalog ID
STK709611
SMILES CCOC(=O)C1=C(SCC(=O)Nc2ccccc2)NC(=O)C(C21CCCCC2)C#N
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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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-2-29-21(28)18-20(30-14-17(26)24-15-9-5-3-6-10-15)25-19(27)16(13-23)22(18)11-7-4-8-12-22/h3,5-6,9-10,16H,2,4,7-8,11-12,14H2,1H3,(H,24,26)(H,25,27)InChIKey
LMWCHQPPXJFJOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SCC(=O)NC3=CC=CC=C3
ETHYL(5R)5CYANO4OXO2((2OXO2(PHENYLAMINO)ETHYL)SULFANYL)3AZASPIRO(55)UNDEC1ENE1CARBOXYLATE
ETHYL10(2ANILINO2OXOETHYL)SULFANYL7CYANO8OXO9AZASPIRO(55)UNDEC10ENE11CARBOXYLATE
ethyl4(2anilino2oxoethyl)sulfanyl1cyano2oxo3azaspiro(55)undec4ene5carboxylate
ethyl5cyano4oxo2((2oxo2(phenylamino)ethyl)sulfanyl)3azaspiro(55)undec1ene1carboxylate
ETHYL5CYANO4OXO2((NPHENYLCARBAMOYL)METHYLTHIO)3AZASPIRO(55)UNDEC1ENECARBOXYLATE
InChI=1SC22H25N3O4Sc122921(28)1820(301417(26)241595361015)2519(27)16(1323)22(18)117481222h35691016H2478111214H21H3(H2426)(H2527)
MFCD03408595
ZINC000100120228
ZINC000100120231
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