Vitas-M small molecule compound
methyl 9-methyl-2-{3-[(4-nitrophenoxy)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL178416
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)COc1ccc(cc1)[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 C23H17N5O5S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O5S/c1-13-18-21-25-20(26-27(21)12-24-22(18)34-19(13)23(29)32-2)15-5-3-4-14(10-15)11-33-17-8-6-16(7-9-17)28(30)31/h3-10,12H,11H2,1-2H3InChIKey
BLGFYVCLPPQWLY-UHFFFAOYSA-NSynonyms
832127-43-2832127432
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=CC=C4)COC5=CC=C(C=C5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H17N5O5Sc11318212520(2627(21)122422(18)3419(13)23(29)322)1553414(1015)1133178616(7917)28(30)31h31012H11H212H3
methyl9methyl2(3((4nitrophenoxy)methyl)phenyl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04135689
ZINC000002805079
ZINC02805079
ZINC2805079
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