Vitas-M small molecule compound
methyl 3-(5-{2-[(2-ethoxy-2-oxoethyl)amino]tricyclo[3.3.1.1~3,7~]dec-2-yl}-1H-tetrazol-1-yl)thiophene-2-carboxylate
Catalog ID
STK507748
SMILES CCOC(=O)CNC1(C2CC3CC1CC(C2)C3)c1nnnn1c1ccsc1C(=O)OC
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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 C21H27N5O4S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4S/c1-3-30-17(27)11-22-21(14-7-12-6-13(9-14)10-15(21)8-12)20-23-24-25-26(20)16-4-5-31-18(16)19(28)29-2/h4-5,12-15,22H,3,6-11H2,1-2H3InChIKey
GDMJMTILMVXRBL-UHFFFAOYSA-NSynonyms
CCOC(=O)CNC1(C2CC3CC(C2)CC1C3)C4=NN=NN4C5=C(SC=C5)C(=O)OC
InChI=1SC21H27N5O4Sc133017(27)112221(14712613(914)1015(21)812)2023242526(20)16453118(16)19(28)292h45121522H3611H212H3
METHYL3(5(2((2ETHOXY2OXOETHYL)AMINO)2ADAMANTYL)1HTETRAAZOL1YL)2THIOPHENECARBOXYLATE
methyl3(5(2((2ethoxy2oxoethyl)amino)2adamantyl)tetrazol1yl)thiophene2carboxylate
methyl3(5(2((2ethoxy2oxoethyl)amino)tricyclo(3311~37~)dec2yl)1Htetrazol1yl)thiophene2carboxylate
MFCD13369667
ZINC000035170796
ZINC35170796
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