Vitas-M small molecule compound
2-{[5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK736020
SMILES CCOc1cccc(c1)c1nnc(n1C)SCC(=O)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 C23H29N3O2S MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O2S/c1-3-28-19-6-4-5-18(10-19)21-24-25-22(26(21)2)29-14-20(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-6,10,15-17H,3,7-9,11-14H2,1-2H3InChIKey
PHIJQAUBMPSRGR-UHFFFAOYSA-NSynonyms
1(1ADAMANTYL)2((5(3ETHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
2((5(3ethoxyphenyl)4methyl4H124triazol3yl)sulfanyl)1(tricyclo(3311~37~)dec1yl)ethanone
CCOC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C34CC5CC(C3)CC(C5)C4
InChI=1SC23H29N3O2Sc13281964518(1019)21242522(26(21)2)291420(27)231115716(1223)917(815)1323h46101517H3791114H212H3
MFCD05857491
ZINC000004629087
ZINC04629087
ZINC4629087
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