Vitas-M small molecule compound
ethyl 4-({[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STK678264
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
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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 C24H33N3O2S MW 427.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O2S/c1-2-29-22(28)20-3-5-21(6-4-20)25-23(30)26-7-9-27(10-8-26)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-6,17-19H,2,7-16H2,1H3,(H,25,30)InChIKey
LLISBPCTJRGUKD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4
ethyl4(((4(tricyclo(3311~37~)dec1yl)piperazin1yl)carbonothioyl)amino)benzoate
ETHYL4(((4ADAMANTANYLPIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
ETHYL4((4(1ADAMANTYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC24H33N3O2Sc122922(28)203521(6420)2523(30)267927(10826)2414171118(1524)1319(1217)1624h361719H2716H21H3(H2530)
MFCD03034346
ZINC000004185361
ZINC4185361
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