Vitas-M small molecule compound
3-phenyl-1-{2-[(phenylcarbamothioyl)amino]ethyl}-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}thiourea (non-preferred name)
Catalog ID
STL327912
SMILES S=C(Nc1ccccc1)NCCN(C(=S)Nc1ccccc1)CCOC1CC2C(C1(C)CC2)(C)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 C28H38N4OS2 MW 510.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4OS2/c1-27(2)21-14-15-28(27,3)24(20-21)33-19-18-32(26(35)31-23-12-8-5-9-13-23)17-16-29-25(34)30-22-10-6-4-7-11-22/h4-13,21,24H,14-20H2,1-3H3,(H,31,35)(H2,29,30,34)InChIKey
NNZAGPZSSHIBFB-UHFFFAOYSA-NSynonyms
1212449-34-71212449347
3phenyl1(2((phenylcarbamothioyl)amino)ethyl)1(2((177trimethylbicyclo(221)hept2yl)oxy)ethyl)thiourea(nonpreferredname)
3phenyl1(2(3phenylthioureido)ethyl)1(2(((1S4S)177trimethylbicyclo(221)heptan2yl)oxy)ethyl)thiourea
3PHENYL1(2(PHENYLCARBAMOTHIOYLAMINO)ETHYL)1(2((477TRIMETHYL3BICYCLO(221)HEPTANYL)OXY)ETHYL)THIOUREA
CC1(C2CCC1(C(C2)OCCN(CCNC(=S)NC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C)C
InChI=1SC28H38N4OS2c127(2)21141528(273)24(2021)33191832(26(35)3123128591323)17162925(34)3022106471122h4132124H1420H213H3(H3135)(H2293034)
MFCD01955157
ZINC000100724106
ZINC000100724112
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