Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK736024
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)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 C28H31N3O3S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S/c1-33-23-9-8-21(13-24(23)34-2)26-29-30-27(31(26)22-6-4-3-5-7-22)35-17-25(32)28-14-18-10-19(15-28)12-20(11-18)16-28/h3-9,13,18-20H,10-12,14-17H2,1-2H3InChIKey
ZMESWMQJTHJNCR-UHFFFAOYSA-NSynonyms
1(1ADAMANTYL)2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)1(tricyclo(3311~37~)dec1yl)ethanone
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C45CC6CC(C4)CC(C6)C5)OC
InChI=1SC28H31N3O3Sc133239821(1324(23)342)26293027(31(26)226435722)351725(32)2814181019(1528)1220(1118)1628h39131820H10121417H212H3
MFCD05857495
ZINC000012371373
ZINC12371373
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