Vitas-M small molecule compound

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

Catalog ID
STK651433
SMILES CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1[nH]nc(c1)C(C)(C)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 C19H22N6S MW 366.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6S/c1-10-5-6-11-13(7-10)26-18-15(11)17-21-16(24-25(17)9-20-18)12-8-14(23-22-12)19(2,3)4/h8-10H,5-7H2,1-4H3,(H,22,23)
InChIKey
OCWJBTPXZKJPSY-UHFFFAOYSA-N
Synonyms
1119491-88-1
1119491881
2(3tertbutyl1Hpyrazol5yl)9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
2(5(tertbutyl)1Hpyrazol3yl)9methyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=NNC(=C5)C(C)(C)C
CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1(nH)nc(c1)C(C)(C)C
CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1n(nH)c(c1)C(C)(C)C
InChI=1SC19H22N6Sc110561113(710)261815(11)172116(2425(17)92018)12814(232212)19(23)4h810H57H214H3(H2223)
MFCD18165974
ZINC000024614192
ZINC000024614196

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Available files

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