Vitas-M small molecule compound
9-methyl-2-{5-[(4-nitro-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
STK306341
SMILES CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-]
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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 C20H17N7O3S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O3S/c1-11-2-4-14-16(6-11)31-20-17(14)19-23-18(24-26(19)10-21-20)15-5-3-13(30-15)9-25-8-12(7-22-25)27(28)29/h3,5,7-8,10-11H,2,4,6,9H2,1H3InChIKey
KIYSXTRIIAVPEH-UHFFFAOYSA-NSynonyms
1005585-12-51005585125
9methyl2(5((4nitro1Hpyrazol1yl)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(O5)CN6C=C(C=N6)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC20H17N7O3Sc111241416(611)312017(14)192318(2426(19)102120)155313(3015)925812(72225)27(28)29h35781011H2469H21H3
MFCD04129793
ZINC000002789996
ZINC000002789997
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