Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STL386952
SMILES COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCCCC2
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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 C25H20F3N5O2S MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F3N5O2S/c1-35-15-9-7-14(8-10-15)18-11-21(25(26,27)28)33-22(30-18)12-19(32-33)23(34)31-24-17(13-29)16-5-3-2-4-6-20(16)36-24/h7-12H,2-6H2,1H3,(H,31,34)InChIKey
UQKRFLNWZQVQAC-UHFFFAOYSA-NSynonyms
313248-66-7313248667
COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC25H20F3N5O2Sc135159714(81015)181121(25(2627)28)3322(3018)1219(3233)23(34)312417(1329)165324620(16)3624h712H26H21H3(H3134)
MFCD01450817
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
ZINC000000688799
ZINC00688799
ZINC688799
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