Vitas-M small molecule compound

tert-butyl 3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-2(3H)-carboxylate

Catalog ID
STK019249
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)OC(C)(C)C

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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 C14H21F3N2O3 MW 322.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21F3N2O3/c1-12(2,3)22-11(20)19-13(21,14(15,16)17)9-7-5-4-6-8-10(9)18-19/h9,21H,4-8H2,1-3H3
InChIKey
KPWCHMCWGLGPEW-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1C(C2CCCCCC2=N1)(C(F)(F)F)O
InChI=1SC14H21F3N2O3c112(23)2211(20)1913(2114(1516)17)97546810(9)1819h921H48H213H3
MFCD02067869
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)OC(C)(C)C
STK019249
tertbutyl3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazole2(3H)carboxylate
tertbutyl3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazole2carboxylate
ZINC000004503224
ZINC000004503227

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.