Vitas-M small molecule compound
methyl (5E)-5-[(3Z)-3-(hydroxyimino)-4-[(phenylcarbonyl)amino]dihydrothiophen-2(3H)-ylidene]pentanoate
Catalog ID
STK787032
SMILES COC(=O)CCC/C=C\1/SCC(/C1=N/O)NC(=O)c1ccccc1
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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 C17H20N2O4S MW 348.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4S/c1-23-15(20)10-6-5-9-14-16(19-22)13(11-24-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,22H,5-6,10-11H2,1H3,(H,18,21)/b14-9+,19-16-InChIKey
CLTIGQMRSNRISD-DEKNBCERSA-NSynonyms
(Z)methyl5((Z)4benzamido3(hydroxyimino)dihydrothiophen2(3H)ylidene)pentanoate
COC(=O)CCCC=C1C(=NO)C(CS1)NC(=O)C2=CC=CC=C2
COC(=O)CCCC=C1SCC(C1=NO)NC(=O)c1ccccc1
InChI=1SC17H20N2O4Sc12315(20)106591416(1922)13(112414)1817(21)127324812h24791322H561011H21H3(H1821)b149+1916
methyl(5E)5((3Z)3(hydroxyimino)4((phenylcarbonyl)amino)dihydrothiophen2(3H)ylidene)pentanoate
METHYL(5E)5((3Z)4BENZAMIDO3HYDROXYIMINOTHIOLAN2YLIDENE)PENTANOATE
METHYL5(3(HYDROXYIMINO)4(PHENYLCARBONYLAMINO)245DIHYDROTHIENYLIDENE)PENTANOATE
MFCD00385567
ZINC000004645366
ZINC000100020847
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