Vitas-M small molecule compound
9-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308687
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)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 C22H27N7O2S MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2S/c1-12-19(29(30)31)13(2)27(25-12)9-8-17-24-20-18-15-7-6-14(22(3,4)5)10-16(15)32-21(18)23-11-28(20)26-17/h11,14H,6-10H2,1-5H3InChIKey
HQTNEEKKIUNGIG-UHFFFAOYSA-NSynonyms
1005701-36-9(O)(N+)(=O)c1c(C)nn(c1C)CCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
1005701369
9tertbutyl2(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1CCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CC(CC5)C(C)(C)C)C)(N+)(=O)(O)
InChI=1SC22H27N7O2Sc11219(29(30)31)13(2)27(2512)9817242018157614(22(34)5)1016(15)3221(18)231128(20)2617h1114H610H215H3
MFCD04132535
ZINC000002797927
ZINC000002797928
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