Vitas-M small molecule compound

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

Catalog ID
STK308728
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1nn2c(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 C21H25N7O2S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O2S/c1-11-18(28(29)30)12(2)26(24-11)9-16-23-19-17-14-7-6-13(21(3,4)5)8-15(14)31-20(17)22-10-27(19)25-16/h10,13H,6-9H2,1-5H3
InChIKey
ZFJNLIOCIULXJB-UHFFFAOYSA-N
Synonyms
1005701-44-9
(O)(N+)(=O)c1c(C)nn(c1C)Cc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
1005701449
9tertbutyl2((35dimethyl4nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CC(CC5)C(C)(C)C)C)(N+)(=O)(O)
InChI=1SC21H25N7O2Sc11118(28(29)30)12(2)26(2411)916231917147613(21(34)5)815(14)3120(17)221027(19)2516h1013H69H215H3
MFCD04132590
ZINC000002798033
ZINC000002798034

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Available files

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