Vitas-M small molecule compound

ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate

Catalog ID
STK964454
SMILES CCOC(=O)c1ccn(n1)CSc1nc(c2c(c1C#N)CCCC2)C(F)(F)F

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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 C18H17F3N4O2S MW 410.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N4O2S/c1-2-27-17(26)14-7-8-25(24-14)10-28-16-13(9-22)11-5-3-4-6-12(11)15(23-16)18(19,20)21/h7-8H,2-6,10H2,1H3
InChIKey
WRJTUAGDCHSYAX-UHFFFAOYSA-N
Synonyms
1005668-20-1
1005668201
CCOC(=O)C1=NN(C=C1)CSC2=NC(=C3CCCCC3=C2C#N)C(F)(F)F
ethyl1(((4cyano1(trifluoromethyl)5678tetrahydroisoquinolin3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
ethyl1((4cyano1(trifluoromethyl)5678tetrahydroisoquinolin3yl)sulfanylmethyl)pyrazole3carboxylate
InChI=1SC18H17F3N4O2Sc122717(26)147825(2414)10281613(922)11534612(11)15(2316)18(1920)21h78H2610H21H3
MFCD04049625
ZINC000006392731
ZINC06392731
ZINC6392731

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Available files

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