Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-3-[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2-yl]urea
Catalog ID
STK002584
SMILES O=C(Nc1nnc(s1)C12CC3CC(C2)CC(C1)C3)Nc1ccc(c(c1)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 C21H26N4OS MW 382.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4OS/c1-12-3-4-17(5-13(12)2)22-19(26)23-20-25-24-18(27-20)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,14-16H,6-11H2,1-2H3,(H2,22,23,25,26)InChIKey
HPDWMYBSRRVDJH-UHFFFAOYSA-NSynonyms
429629-10-71(34dimethylphenyl)3(5(tricyclo(3311~37~)dec1yl)134thiadiazol2yl)urea
1(5((3r5r7r)adamantan1yl)134thiadiazol2yl)3(34dimethylphenyl)urea
1(5(1ADAMANTYL)134THIADIAZOL2YL)3(34DIMETHYLPHENYL)UREA
CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)C
InChI=1SC21H26N4OSc1123417(513(12)2)2219(26)2320252418(2720)21914615(1021)816(714)1121h351416H611H212H3(H222232526)
MFCD02922268
O=C(Nc1nnc(s1)C12CC3CC(C2)CC(C1)C3)Nc1ccc(c(c1)C)C
STK002584
ZINC000017138351
ZINC17138351
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