Vitas-M small molecule compound
ethyl 5-ethyl-2-({[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK470502
SMILES CCc1sc(c(c1)C(=O)OCC)NC(=O)CN1CCN(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 C25H37N3O3S MW 459.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O3S/c1-3-20-12-21(24(30)31-4-2)23(32-20)26-22(29)16-27-5-7-28(8-6-27)25-13-17-9-18(14-25)11-19(10-17)15-25/h12,17-19H,3-11,13-16H2,1-2H3,(H,26,29)InChIKey
KPGPUGAJPRWFMJ-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C(=O)OCC
ethyl2((2(4(1adamantyl)piperazin1yl)acetyl)amino)5ethylthiophene3carboxylate
ETHYL2(2(4ADAMANTANYLPIPERAZINYL)ACETYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
ethyl5ethyl2(((4(tricyclo(3311~37~)dec1yl)piperazin1yl)acetyl)amino)thiophene3carboxylate
InChI=1SC25H37N3O3Sc13201221(24(30)3142)23(3220)2622(29)16275728(8627)251317918(1425)1119(1017)1525h121719H3111316H212H3(H2629)
ZINC000020191732
ZINC20191732
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