Vitas-M small molecule compound
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK311301
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)c1cccc(c1)Cn1cc(c(n1)[N+](=O)[O-])Br
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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 C20H16BrN7O2S MW 498.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN7O2S/c1-3-14-11(2)31-20-16(14)19-23-17(24-27(19)10-22-20)13-6-4-5-12(7-13)8-26-9-15(21)18(25-26)28(29)30/h4-7,9-10H,3,8H2,1-2H3InChIKey
ADFOTQLQFKIMJG-UHFFFAOYSA-NSynonyms
1005571-18-51005571185
2(3((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)9ethyl8methylthieno(32e)(124)triazolo(15c)pyrimidine
CCC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=CC=C4)CN5C=C(C(=N5)(N+)(=O)(O))Br)C
CCc1c(C)sc2c1c1nc(nn1cn2)c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br
InChI=1SC20H16BrN7O2Sc131411(2)312016(14)192317(2427(19)102220)1364512(713)826915(21)18(2526)28(29)30h47910H38H212H3
MFCD04059940
ZINC000002809019
ZINC02809019
ZINC2809019
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