Vitas-M small molecule compound

9-tert-butyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK305725
SMILES Cn1nc(cc1c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)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 C20H21F3N6S MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N6S/c1-19(2,3)10-5-6-11-13(7-10)30-18-15(11)17-25-16(27-29(17)9-24-18)12-8-14(20(21,22)23)26-28(12)4/h8-10H,5-7H2,1-4H3
InChIKey
OPAFRBBHCUEQMZ-UHFFFAOYSA-N
Synonyms
1005693-01-5
1005693015
9tertbutyl2(1methyl3(trifluoromethyl)1Hpyrazol5yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC(=NN5C)C(F)(F)F
InChI=1SC20H21F3N6Sc119(23)10561113(710)301815(11)172516(2729(17)92418)12814(20(2122)23)2628(12)4h810H57H214H3
MFCD04045756
ZINC000002787420
ZINC000002787421

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Available files

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