Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
Catalog ID
STK302659
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)CC12CC3CC(C1)CC(C2)(C3)n1nncn1
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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 C18H23F3N6O2 MW 412.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23F3N6O2/c1-11-3-17(29,18(19,20)21)26(24-11)14(28)8-15-4-12-2-13(5-15)7-16(6-12,9-15)27-23-10-22-25-27/h10,12-13,29H,2-9H2,1H3InChIKey
FBBZKNYMJIIHCX-UHFFFAOYSA-NSynonyms
675827-16-41(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2(3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)ethanone
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(3(TETRAZOL2YL)1ADAMANTYL)ETHANONE
3METHYL1((3(2HTETRAAZOL2YL)1ADAMANTYL)ACETYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
675827164
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC23CC4CC(C2)CC(C4)(C3)N5N=CN=N5
InChI=1SC18H23F3N6O2c111317(2918(1920)21)26(2411)14(28)815412213(515)716(612915)272310222527h10121329H29H21H3
MFCD04048340
ZINC000001012124
ZINC000013958079
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