Vitas-M small molecule compound
1-{2-[(2-methylphenyl)sulfanyl]ethyl}-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea
Catalog ID
STK736056
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)NCCSc1ccccc1C
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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 C20H28N2OS MW 344.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2OS/c1-14-4-2-3-5-18(14)24-7-6-21-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17H,6-13H2,1H3,(H2,21,22,23)InChIKey
OQPFTDMETUPPQS-UHFFFAOYSA-NSynonyms
1(1ADAMANTYL)3(2(2METHYLPHENYL)SULFANYLETHYL)UREA
1(2((2methylphenyl)sulfanyl)ethyl)3tricyclo(3311~37~)dec1ylurea
CC1=CC=CC=C1SCCNC(=O)NC23CC4CC(C2)CC(C4)C3
InChI=1SC20H28N2OSc114423518(14)24762119(23)22201115816(1220)1017(915)1320h251517H613H21H3(H2212223)
MFCD05860599
ZINC000004717680
ZINC04717680
ZINC4717680
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