Vitas-M small molecule compound
1-(2-methylphenyl)-3-[(2E)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Catalog ID
STK622828
SMILES O=C(/N=c/1\[nH]nc(s1)C12CC3CC(C2)CC(C1)C3)Nc1ccccc1C
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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 C20H24N4OS MW 368.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4OS/c1-12-4-2-3-5-16(12)21-18(25)22-19-24-23-17(26-19)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-11H2,1H3,(H2,21,22,24,25)InChIKey
OVOSOHXNOGPUFG-UHFFFAOYSA-NSynonyms
426244-67-91(2methylphenyl)3((2E)5(tricyclo(3311~37~)dec1yl)134thiadiazol2(3H)ylidene)urea
1(5(1ADAMANTYL)134THIADIAZOL2YL)3(2METHYLPHENYL)UREA
426244679
CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4
InChI=1SC20H24N4OSc112423516(12)2118(25)2219242317(2619)20913614(1020)815(713)1120h251315H611H21H3(H221222425)
MFCD09797384
O=C(N=c1(nH)nc(s1)C12CC3CC(C2)CC(C1)C3)Nc1ccccc1C
ZINC000005034952
ZINC05034952
ZINC5034952
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