Vitas-M small molecule compound
ethyl 2-[3-(difluoromethyl)-3-hydroxy-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2(3H)-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441815
SMILES CCOC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)F)CCC2
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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 C13H15F2N3O3S MW 331.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15F2N3O3S/c1-2-21-10(19)9-6-22-12(16-9)18-13(20,11(14)15)7-4-3-5-8(7)17-18/h6-7,11,20H,2-5H2,1H3InChIKey
QZZCTOMBBNWNCI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(C3CCCC3=N2)(C(F)F)O
ethyl2(3(difluoromethyl)3hydroxy3a456tetrahydrocyclopenta(c)pyrazol2(3H)yl)13thiazole4carboxylate
ethyl2(3(difluoromethyl)3hydroxy3a456tetrahydrocyclopenta(c)pyrazol2yl)13thiazole4carboxylate
InChI=1SC13H15F2N3O3Sc122110(19)962212(169)1813(2011(14)15)74358(7)1718h671120H25H21H3
MFCD08273440
ZINC000033435782
ZINC000033435785
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