Vitas-M small molecule compound
2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL400157
SMILES Cc1nn(c(c1)C)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
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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 C21H20N6OS MW 404.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6OS/c1-12-9-13(2)26(24-12)10-14-7-8-16(28-14)19-23-20-18-15-5-3-4-6-17(15)29-21(18)22-11-27(20)25-19/h7-9,11H,3-6,10H2,1-2H3InChIKey
NBIIXRUDNWKFMX-UHFFFAOYSA-NSynonyms
1005572-50-81005572508
2(5((35dimethyl1Hpyrazol1yl)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=CC(=NN1CC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCCC6)C
InChI=1SC21H20N6OSc112913(2)26(2412)10147816(2814)1923201815534617(15)2921(18)221127(20)2519h7911H3610H212H3
MFCD04046756
ZINC000002796967
ZINC02796967
ZINC2796967
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