Vitas-M small molecule compound
ethyl 4-(5-oxo-4-{2-oxo-2-[(4-propoxyphenyl)amino]ethyl}-2-thioxo-3-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]imidazolidin-1-yl)benzoate
Catalog ID
STK678326
SMILES CCCOc1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1CCC12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)OCC
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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 C35H43N3O5S MW 617.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O5S/c1-3-15-43-29-11-7-27(8-12-29)36-31(39)19-30-32(40)38(28-9-5-26(6-10-28)33(41)42-4-2)34(44)37(30)14-13-35-20-23-16-24(21-35)18-25(17-23)22-35/h5-12,23-25,30H,3-4,13-22H2,1-2H3,(H,36,39)InChIKey
RIWKMJHGPPUMST-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)OCC
ETHYL4(3(2(1ADAMANTYL)ETHYL)5OXO4(2OXO2(4PROPOXYANILINO)ETHYL)2SULFANYLIDENEIMIDAZOLIDIN1YL)BENZOATE
ethyl4(5oxo4(2oxo2((4propoxyphenyl)amino)ethyl)2thioxo3(2(tricyclo(3311~37~)dec1yl)ethyl)imidazolidin1yl)benzoate
InChI=1SC35H43N3O5Sc1315432911727(81229)3631(39)193032(40)38(289526(61028)33(41)4242)34(44)37(30)14133520231624(2135)1825(1723)2235h512232530H341322H212H3(H3639)
MFCD03034510
ZINC000033354762
ZINC000033354764
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