Vitas-M small molecule compound
2-phenylethyl 4-{[(2-ethyl-6-methylphenyl)carbamothioyl]amino}-4-oxobutanoate
Catalog ID
STL064990
SMILES CCc1cccc(c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1)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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-3-18-11-7-8-16(2)21(18)24-22(28)23-19(25)12-13-20(26)27-15-14-17-9-5-4-6-10-17/h4-11H,3,12-15H2,1-2H3,(H2,23,24,25,28)InChIKey
VGXJMFLZUCJYHE-UHFFFAOYSA-NSynonyms
2phenylethyl4(((2ethyl6methylphenyl)carbamothioyl)amino)4oxobutanoate
2phenylethyl4((2ethyl6methylphenyl)carbamothioylamino)4oxobutanoate
CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C
InChI=1SC22H26N2O3Sc1318117816(2)21(18)2422(28)2319(25)121320(26)2715141795461017h411H31215H212H3(H223242528)
MFCD05880264
PHENETHYL4((2ETHYL6METHYLPHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
ZINC000012137261
ZINC12137261
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