Vitas-M small molecule compound

1-amino-N-(2,5-dimethylphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

Catalog ID
STK960307
SMILES Cc1ccc(c(c1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)C(F)(F)F)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 C21H20F3N3OS MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3OS/c1-10-7-8-11(2)14(9-10)26-19(28)17-16(25)15-12-5-3-4-6-13(12)18(21(22,23)24)27-20(15)29-17/h7-9H,3-6,25H2,1-2H3,(H,26,28)
InChIKey
FDVBWGCSZITBSL-UHFFFAOYSA-N
Synonyms
445020-72-4
1aminoN(25dimethylphenyl)5(trifluoromethyl)6789tetrahydrothieno(23c)isoquinoline2carboxamide
445020724
CC1=CC(=C(C=C1)C)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)C(F)(F)F)N
InChI=1SC21H20F3N3OSc1107811(2)14(910)2619(28)1716(25)1512534613(12)18(21(2223)24)2720(15)2917h79H3625H212H3(H2628)
MFCD03073163
ZINC000000689197
ZINC00689197
ZINC689197

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Available files

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