Vitas-M small molecule compound
3-phenylpropyl 4-{[(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)carbamothioyl]amino}-4-oxobutanoate
Catalog ID
STL064693
SMILES N#Cc1c(C)cc(n(c1=O)NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1)C
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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-15-13-16(2)26(21(29)18(15)14-23)25-22(31)24-19(27)10-11-20(28)30-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,13H,6,9-12H2,1-2H3,(H2,24,25,27,31)InChIKey
KEGHXKZHEWUPOZ-UHFFFAOYSA-NSynonyms
3phenylpropyl4(((3cyano46dimethyl2oxopyridin1(2H)yl)carbamothioyl)amino)4oxobutanoate
3PHENYLPROPYL4((3CYANO46DIMETHYL2OXOPYRIDIN1YL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)C#N)C
InChI=1SC22H24N4O4Sc1151316(2)26(21(29)18(15)1423)2522(31)2419(27)101120(28)301269177435817h357813H6912H212H3(H224252731)
MFCD05874365
ZINC000012293922
ZINC12293922
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